Mol:FL1C3CGS0016
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 38 0 0 0 0 0 0 0 0999 V2000 | + | 36 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9073 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9073 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9073 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9073 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3533 -1.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3533 -1.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2007 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2007 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2007 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2007 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3533 -0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3533 -0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7544 -1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7544 -1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3069 -1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3069 -1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8583 -1.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8583 -1.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4084 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4084 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9468 -1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9468 -1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4851 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4851 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4851 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4851 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9468 -0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9468 -0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4084 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4084 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7544 -2.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7544 -2.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3533 -2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3533 -2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4610 -0.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4610 -0.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3922 -1.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3922 -1.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0234 -1.3601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0234 -1.3601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5074 -0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5074 -0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1611 -0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1611 -0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6625 -0.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6625 -0.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1429 -0.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1429 -0.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5310 -0.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5310 -0.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0404 -0.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0404 -0.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8945 -0.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8945 -0.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7009 -0.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7009 -0.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3769 -1.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3769 -1.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4858 0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4858 0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4858 0.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4858 0.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1078 1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1078 1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7379 1.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7379 1.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1078 2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1078 2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0234 -0.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0234 -0.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7379 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7379 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 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 13 2 0 0 0 0 | + | 12 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 32 34 2 0 0 0 0 | + | 32 34 2 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 13 35 1 0 0 0 0 | + | 13 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 35 36 | + | M SAL 1 2 35 36 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 37 -8.1818 4.1307 | + | M SBV 1 37 -8.1818 4.1307 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3CGS0016 | + | ID FL1C3CGS0016 |
| − | KNApSAcK_ID C00007907 | + | KNApSAcK_ID C00007907 |
| − | NAME Okanin 4-methyl ether 4'-(6''-acetylglucoside) | + | NAME Okanin 4-methyl ether 4'-(6''-acetylglucoside) |
| − | CAS_RN 142628-33-9 | + | CAS_RN 142628-33-9 |
| − | FORMULA C24H26O12 | + | FORMULA C24H26O12 |
| − | EXACTMASS 506.142426296 | + | EXACTMASS 506.142426296 |
| − | AVERAGEMASS 506.45604 | + | AVERAGEMASS 506.45604 |
| − | SMILES C(C1O)(C(COC(C)=O)OC(Oc(c2)c(O)c(O)c(C(C=Cc(c3)cc(c(OC)c3)O)=O)c2)C1O)O | + | SMILES C(C1O)(C(COC(C)=O)OC(Oc(c2)c(O)c(O)c(C(C=Cc(c3)cc(c(OC)c3)O)=O)c2)C1O)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/
36 38 0 0 0 0 0 0 0 0999 V2000
-0.9073 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9073 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3533 -1.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2007 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2007 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3533 -0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7544 -1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3069 -1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8583 -1.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4084 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9468 -1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4851 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4851 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9468 -0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4084 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7544 -2.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3533 -2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4610 -0.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3922 -1.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0234 -1.3601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5074 -0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1611 -0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6625 -0.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1429 -0.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5310 -0.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0404 -0.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8945 -0.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7009 -0.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3769 -1.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4858 0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4858 0.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1078 1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7379 1.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1078 2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0234 -0.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7379 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 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 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
19 2 1 0 0 0 0
12 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 2 0 0 0 0
24 18 1 0 0 0 0
13 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 35 36
M SBL 1 1 37
M SMT 1 OCH3
M SBV 1 37 -8.1818 4.1307
S SKP 8
ID FL1C3CGS0016
KNApSAcK_ID C00007907
NAME Okanin 4-methyl ether 4'-(6''-acetylglucoside)
CAS_RN 142628-33-9
FORMULA C24H26O12
EXACTMASS 506.142426296
AVERAGEMASS 506.45604
SMILES C(C1O)(C(COC(C)=O)OC(Oc(c2)c(O)c(O)c(C(C=Cc(c3)cc(c(OC)c3)O)=O)c2)C1O)O
M END
