Mol:FLIDHYNS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.3353 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3353 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3353 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3353 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7790 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7790 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 -0.2761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.6664 -0.2761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 0.0451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.1101 0.0451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 0.6874 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.1101 0.6874 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4460 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4460 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4460 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4460 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0408 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0408 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6356 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6356 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6356 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6356 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0408 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0408 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6646 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6646 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2888 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2888 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6925 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6925 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2888 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2888 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4460 1.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4460 1.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1605 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1605 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6925 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6925 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1924 2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1924 2.1723 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 |
| − | 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 |
| − | 7 17 1 0 0 0 0 | + | 7 17 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 |
| − | 9 21 1 0 0 0 0 | + | 9 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 -2.6925 1.3062 | + | M SVB 2 27 -2.6925 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 0.446 1.0085 | + | M SVB 1 25 0.446 1.0085 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHYNS0002 | + | ID FLIDHYNS0002 |
| − | KNApSAcK_ID C00010005 | + | KNApSAcK_ID C00010005 |
| − | NAME 6-Methoxypterocarpin;(6S,6aS,11aR)-3,6-Dimethoxy-8,9-methylenedioxypterocarpan | + | NAME 6-Methoxypterocarpin;(6S,6aS,11aR)-3,6-Dimethoxy-8,9-methylenedioxypterocarpan |
| − | CAS_RN 90686-10-5 | + | CAS_RN 90686-10-5 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(c45)c(O1)c(cc4OCO5)C(C3OC)C1c(c(O3)2)ccc(OC)c2 | + | SMILES c(c45)c(O1)c(cc4OCO5)C(C3OC)C1c(c(O3)2)ccc(OC)c2 |
M END | M END | ||
| − | |||
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
-2.3353 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3353 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.2761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1101 0.0451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1101 0.6874 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6664 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4460 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4460 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0408 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0408 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6646 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2888 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6925 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2888 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4460 1.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1605 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6925 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1924 2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
7 17 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
9 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 -2.6925 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 0.446 1.0085
S SKP 8
ID FLIDHYNS0002
KNApSAcK_ID C00010005
NAME 6-Methoxypterocarpin;(6S,6aS,11aR)-3,6-Dimethoxy-8,9-methylenedioxypterocarpan
CAS_RN 90686-10-5
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c45)c(O1)c(cc4OCO5)C(C3OC)C1c(c(O3)2)ccc(OC)c2
M END
