Mol:FLID2CNS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 28 0 0 0 0 0 0 0 0999 V2000 | + | 24 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1566 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1566 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1566 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1566 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6003 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6003 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0440 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0440 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0440 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0440 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6003 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6003 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4877 -0.2761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.4877 -0.2761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0686 0.0451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0686 0.0451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0686 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0686 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4877 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4877 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6247 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6247 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6247 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6247 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2194 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2194 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8142 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8142 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8142 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8142 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2194 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2194 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4819 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4819 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4674 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4674 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8711 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8711 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4674 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4674 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8444 0.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8444 0.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2122 -0.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2122 -0.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5139 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5139 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0139 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0139 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 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 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 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 -2.5139 1.3062 | + | M SVB 2 27 -2.5139 1.3062 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -2.8711 0.1365 | + | M SVB 1 25 -2.8711 0.1365 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID2CNS0004 | + | ID FLID2CNS0004 |
| − | KNApSAcK_ID C00009629 | + | KNApSAcK_ID C00009629 |
| − | NAME 2-Methoxypterocarpin;2,3-Dimethoxy-8,9-methylenedioxypterocarpan | + | NAME 2-Methoxypterocarpin;2,3-Dimethoxy-8,9-methylenedioxypterocarpan |
| − | CAS_RN 30461-93-9 | + | CAS_RN 30461-93-9 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(c45)c(O3)c(cc4OCO5)C(C32)COc(c12)cc(c(c1)OC)OC | + | SMILES c(c45)c(O3)c(cc4OCO5)C(C32)COc(c12)cc(c(c1)OC)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 28 0 0 0 0 0 0 0 0999 V2000
-2.1566 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1566 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0440 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0440 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 -0.2761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0686 0.0451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0686 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6247 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6247 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8142 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8142 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4819 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4674 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8711 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4674 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8444 0.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2122 -0.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5139 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0139 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 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 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 -2.5139 1.3062
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -2.8711 0.1365
S SKP 8
ID FLID2CNS0004
KNApSAcK_ID C00009629
NAME 2-Methoxypterocarpin;2,3-Dimethoxy-8,9-methylenedioxypterocarpan
CAS_RN 30461-93-9
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c45)c(O3)c(cc4OCO5)C(C32)COc(c12)cc(c(c1)OC)OC
M END
