Mol:FLIAE8NS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2016 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2016 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2016 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2016 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7358 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7358 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2701 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2701 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2701 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2701 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7358 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7358 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1957 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1957 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6615 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6615 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6615 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6615 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1957 0.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1957 0.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1273 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1273 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5930 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5930 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1273 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1273 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5930 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5930 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0588 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0588 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0588 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0588 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1957 -0.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1957 -0.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7498 0.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7498 0.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0588 0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0588 0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7017 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7017 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5930 0.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5930 0.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2276 -0.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2276 -0.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5132 -0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5132 -0.6755 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 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 12 1 0 0 0 0 | + | 16 12 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 25 -5.3296 4.3800 | + | M SBV 1 25 -5.3296 4.3800 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAE8NS0001 | + | ID FLIAE8NS0001 |
| − | KNApSAcK_ID C00002509 | + | KNApSAcK_ID C00002509 |
| − | NAME Betavulgarin;2'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone | + | NAME Betavulgarin;2'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone |
| − | CAS_RN 51068-94-1 | + | CAS_RN 51068-94-1 |
| − | FORMULA C17H12O6 | + | FORMULA C17H12O6 |
| − | EXACTMASS 312.063388116 | + | EXACTMASS 312.063388116 |
| − | AVERAGEMASS 312.27358 | + | AVERAGEMASS 312.27358 |
| − | SMILES COc(c21)c(C(=O)3)c(OC=C(c(c4)c(O)ccc4)3)cc(OCO2)1 | + | SMILES COc(c21)c(C(=O)3)c(OC=C(c(c4)c(O)ccc4)3)cc(OCO2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-1.2016 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2016 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7358 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2701 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2701 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7358 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1957 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6615 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6615 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1957 0.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1273 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5930 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1273 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5930 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0588 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0588 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1957 -0.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7498 0.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0588 0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7017 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5930 0.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2276 -0.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5132 -0.6755 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 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 12 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 2 1 0 0 0 0
12 21 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 OCH3
M SBV 1 25 -5.3296 4.3800
S SKP 8
ID FLIAE8NS0001
KNApSAcK_ID C00002509
NAME Betavulgarin;2'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone
CAS_RN 51068-94-1
FORMULA C17H12O6
EXACTMASS 312.063388116
AVERAGEMASS 312.27358
SMILES COc(c21)c(C(=O)3)c(OC=C(c(c4)c(O)ccc4)3)cc(OCO2)1
M END
