Mol:FL5FACNF0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0976 -1.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0976 -1.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1072 -0.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1072 -0.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4076 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4076 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3184 -1.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3184 -1.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3276 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3276 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3976 -0.5324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3976 -0.5324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0421 -0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0421 -0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7981 -0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7981 -0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5263 -0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5263 -0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5240 -1.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5240 -1.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8225 -2.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8225 -2.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4076 -3.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4076 -3.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0329 -2.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0329 -2.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7565 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7565 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4710 -0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4710 -0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4710 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4710 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7565 0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7565 0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0421 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0421 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1221 0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1221 0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1353 -0.9173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1353 -0.9173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7565 1.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7565 1.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0421 1.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0421 1.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0421 2.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0421 2.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3276 3.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3276 3.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7565 3.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7565 3.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8225 -2.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8225 -2.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9570 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9570 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7834 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7834 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1353 -0.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1353 -0.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1203 0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1203 0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6365 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6365 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3071 0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3071 0.0948 0.0000 C 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 5 1 0 0 0 0 | + | 7 5 1 0 0 0 0 |
| − | 2 8 2 0 0 0 0 | + | 2 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 1 2 0 0 0 0 | + | 11 1 2 0 0 0 0 |
| − | 3 12 2 0 0 0 0 | + | 3 12 2 0 0 0 0 |
| − | 4 13 1 0 0 0 0 | + | 4 13 1 0 0 0 0 |
| − | 7 14 2 0 0 0 0 | + | 7 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 7 1 0 0 0 0 | + | 18 7 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 11 26 1 0 0 0 0 | + | 11 26 1 0 0 0 0 |
| − | 8 27 1 0 0 0 0 | + | 8 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 9 1 0 0 0 0 | + | 29 9 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACNF0002 | + | ID FL5FACNF0002 |
| − | KNApSAcK_ID C00013535 | + | KNApSAcK_ID C00013535 |
| − | NAME Broussonol C;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-8,9-dihydro-3,5-dihydroxy-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one | + | NAME Broussonol C;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-8,9-dihydro-3,5-dihydroxy-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one |
| − | CAS_RN 370563-86-3 | + | CAS_RN 370563-86-3 |
| − | FORMULA C25H26O7 | + | FORMULA C25H26O7 |
| − | EXACTMASS 438.167853186 | + | EXACTMASS 438.167853186 |
| − | AVERAGEMASS 438.46974 | + | AVERAGEMASS 438.46974 |
| − | SMILES Oc(c1)c(c(cc(C(=C4O)Oc(c(C4=O)3)c(C2(C)C)c(cc(O)3)OC2C)1)CC=C(C)C)O | + | SMILES Oc(c1)c(c(cc(C(=C4O)Oc(c(C4=O)3)c(C2(C)C)c(cc(O)3)OC2C)1)CC=C(C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.0976 -1.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1072 -0.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4076 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3184 -1.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3276 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -0.5324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0421 -0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7981 -0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5263 -0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5240 -1.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8225 -2.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4076 -3.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0329 -2.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7565 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4710 -0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4710 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7565 0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0421 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1221 0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1353 -0.9173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7565 1.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0421 1.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0421 2.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3276 3.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7565 3.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8225 -2.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9570 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7834 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1353 -0.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1203 0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6365 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3071 0.0948 0.0000 C 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 5 1 0 0 0 0
2 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 1 2 0 0 0 0
3 12 2 0 0 0 0
4 13 1 0 0 0 0
7 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 7 1 0 0 0 0
16 19 1 0 0 0 0
15 20 1 0 0 0 0
17 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
11 26 1 0 0 0 0
8 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 9 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
27 32 1 0 0 0 0
S SKP 8
ID FL5FACNF0002
KNApSAcK_ID C00013535
NAME Broussonol C;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-8,9-dihydro-3,5-dihydroxy-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one
CAS_RN 370563-86-3
FORMULA C25H26O7
EXACTMASS 438.167853186
AVERAGEMASS 438.46974
SMILES Oc(c1)c(c(cc(C(=C4O)Oc(c(C4=O)3)c(C2(C)C)c(cc(O)3)OC2C)1)CC=C(C)C)O
M END
