Mol:FLIC1LNS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 22 0 0 0 0 0 0 0 0999 V2000 | + | 20 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1039 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1039 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9913 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9913 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9913 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9913 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 0.0451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.1213 0.0451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4612 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4612 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0832 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0832 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4612 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4612 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9612 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9612 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 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 1 2 0 0 0 0 | + | 6 1 2 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 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 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -2.4612 1.3062 | + | M SVB 1 21 -2.4612 1.3062 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNS0006 | + | ID FLIC1LNS0006 |
| − | KNApSAcK_ID C00009710 | + | KNApSAcK_ID C00009710 |
| − | NAME Neovestitol;2',4'-Dihydroxy-7-methoxyisoflavan | + | NAME Neovestitol;2',4'-Dihydroxy-7-methoxyisoflavan |
| − | CAS_RN 71772-21-9 | + | CAS_RN 71772-21-9 |
| − | FORMULA C16H16O4 | + | FORMULA C16H16O4 |
| − | EXACTMASS 272.104859 | + | EXACTMASS 272.104859 |
| − | AVERAGEMASS 272.29584 | + | AVERAGEMASS 272.29584 |
| − | SMILES COc(c3)cc(O2)c(c3)CC(C2)c(c1)c(O)cc(O)c1 | + | SMILES COc(c3)cc(O2)c(c3)CC(C2)c(c1)c(O)cc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-2.1039 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 0.0451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.1213 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0832 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4612 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9612 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 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 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 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
12 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 11 1 0 0 0 0
1 2 1 0 0 0 0
14 17 1 0 0 0 0
12 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -2.4612 1.3062
S SKP 8
ID FLIC1LNS0006
KNApSAcK_ID C00009710
NAME Neovestitol;2',4'-Dihydroxy-7-methoxyisoflavan
CAS_RN 71772-21-9
FORMULA C16H16O4
EXACTMASS 272.104859
AVERAGEMASS 272.29584
SMILES COc(c3)cc(O2)c(c3)CC(C2)c(c1)c(O)cc(O)c1
M END
