Mol:FLIDHXNS0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 29 0 0 0 0 0 0 0 0999 V2000 | + | 25 29 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 |
| − | 0.6219 0.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6219 0.3646 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 28 -2.5139 1.3062 | + | M SVB 2 28 -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 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 -2.8711 0.1365 | + | M SVB 1 26 -2.8711 0.1365 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNS0012 | + | ID FLIDHXNS0012 |
| − | KNApSAcK_ID C00009681 | + | KNApSAcK_ID C00009681 |
| − | NAME Lathycarpin;6a-Hydroxy-2,3-dimethoxy-8,9-methylenedioxypterocarpan | + | NAME Lathycarpin;6a-Hydroxy-2,3-dimethoxy-8,9-methylenedioxypterocarpan |
| − | CAS_RN 83159-18-6 | + | CAS_RN 83159-18-6 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c5OC)(OC)cc(c(c5)1)OCC(c42)(C(Oc(cc(c(c4)3)OCO3)2)1)O | + | SMILES c(c5OC)(OC)cc(c(c5)1)OCC(c42)(C(Oc(cc(c(c4)3)OCO3)2)1)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/
25 29 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
0.6219 0.3646 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
8 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 -2.5139 1.3062
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 -2.8711 0.1365
S SKP 8
ID FLIDHXNS0012
KNApSAcK_ID C00009681
NAME Lathycarpin;6a-Hydroxy-2,3-dimethoxy-8,9-methylenedioxypterocarpan
CAS_RN 83159-18-6
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c5OC)(OC)cc(c(c5)1)OCC(c42)(C(Oc(cc(c(c4)3)OCO3)2)1)O
M END
