Mol:FL5FACNI0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 39 0 0 0 0 0 0 0 0999 V2000 | + | 37 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0908 -1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0908 -1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0826 -0.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0826 -0.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4054 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4054 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3274 -1.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3274 -1.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3518 -0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3518 -0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3640 -0.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3640 -0.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7672 -0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7672 -0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0613 -0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0613 -0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7682 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7682 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5024 -0.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5024 -0.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5179 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5179 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8257 -1.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8257 -1.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4999 -0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4999 -0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4666 0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4666 0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7393 1.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7393 1.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0667 0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0667 0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8158 -2.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8158 -2.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3955 -2.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3955 -2.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0468 -1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0468 -1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2218 -0.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2218 -0.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1760 1.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1760 1.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7781 0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7781 0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4878 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4878 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4978 1.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4978 1.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2148 2.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2148 2.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7860 2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7860 2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7771 -1.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7771 -1.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4933 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4933 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5032 -2.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5032 -2.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7929 -3.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7929 -3.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2218 -3.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2218 -3.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3473 1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3473 1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3374 1.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3374 1.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3866 2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3866 2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1023 1.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1023 1.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3964 3.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3964 3.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1557 -0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1557 -0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 21 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 9 22 1 0 0 0 0 | + | 9 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 7 27 1 0 0 0 0 | + | 7 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 13 37 1 0 0 0 0 | + | 13 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACNI0007 | + | ID FL5FACNI0007 |
| − | KNApSAcK_ID C00013524 | + | KNApSAcK_ID C00013524 |
| − | NAME Petalostemumol G;2-[3,4-Dihydroxy-2,6-bis(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Petalostemumol G;2-[3,4-Dihydroxy-2,6-bis(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 152253-69-5 | + | CAS_RN 152253-69-5 |
| − | FORMULA C30H34O7 | + | FORMULA C30H34O7 |
| − | EXACTMASS 506.230453442 | + | EXACTMASS 506.230453442 |
| − | AVERAGEMASS 506.58676 | + | AVERAGEMASS 506.58676 |
| − | SMILES Oc(c3)c(c(c(c3O)CC=C(C)C)2)C(C(=C(O2)c(c1CC=C(C)C)c(CC=C(C)C)c(O)c(c1)O)O)=O | + | SMILES Oc(c3)c(c(c(c3O)CC=C(C)C)2)C(C(=C(O2)c(c1CC=C(C)C)c(CC=C(C)C)c(O)c(c1)O)O)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 39 0 0 0 0 0 0 0 0999 V2000
-1.0908 -1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0826 -0.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4054 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3274 -1.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3518 -0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3640 -0.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7672 -0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0613 -0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7682 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5024 -0.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5179 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8257 -1.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4999 -0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4666 0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7393 1.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0667 0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8158 -2.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3955 -2.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0468 -1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2218 -0.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 1.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7781 0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4878 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4978 1.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2148 2.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7771 -1.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4933 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5032 -2.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7929 -3.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2218 -3.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3473 1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3374 1.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3866 2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1023 1.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3964 3.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1557 -0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 1 2 0 0 0 0
7 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
4 19 1 0 0 0 0
10 20 1 0 0 0 0
21 14 1 0 0 0 0
9 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
7 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
16 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
13 37 1 0 0 0 0
S SKP 8
ID FL5FACNI0007
KNApSAcK_ID C00013524
NAME Petalostemumol G;2-[3,4-Dihydroxy-2,6-bis(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 152253-69-5
FORMULA C30H34O7
EXACTMASS 506.230453442
AVERAGEMASS 506.58676
SMILES Oc(c3)c(c(c(c3O)CC=C(C)C)2)C(C(=C(O2)c(c1CC=C(C)C)c(CC=C(C)C)c(O)c(c1)O)O)=O
M END
