Mol:FLIFHXNF0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 33 0 0 0 0 0 0 0 0999 V2000 | + | 28 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7464 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7464 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7464 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7464 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1901 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1901 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6338 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6338 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6338 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6338 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1901 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1901 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0775 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0775 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4788 0.2791 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.4788 0.2791 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.4788 0.9215 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.4788 0.9215 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0775 1.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0775 1.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0349 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0349 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0349 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0349 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6297 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6297 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2245 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2245 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2245 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2245 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6297 0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6297 0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0775 -0.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0775 -0.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6567 0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6567 0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0351 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0351 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4788 -0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4788 -0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3573 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3573 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7349 0.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7349 0.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3573 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3573 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7725 -1.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7725 -1.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4555 -1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4555 -1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7349 -1.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7349 -1.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9120 1.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9120 1.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4754 2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4754 2.7153 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 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 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 9 1 0 0 0 0 | + | 19 9 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 14 1 0 0 0 0 | + | 26 14 1 0 0 0 0 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 -0.912 1.8157 | + | M SVB 1 32 -0.912 1.8157 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFHXNF0005 | + | ID FLIFHXNF0005 |
| − | KNApSAcK_ID C00009586 | + | KNApSAcK_ID C00009586 |
| − | NAME 12a-Hydroxypachyrrhizone | + | NAME 12a-Hydroxypachyrrhizone |
| − | CAS_RN 28768-44-7 | + | CAS_RN 28768-44-7 |
| − | FORMULA C20H14O8 | + | FORMULA C20H14O8 |
| − | EXACTMASS 382.068867424 | + | EXACTMASS 382.068867424 |
| − | AVERAGEMASS 382.32036 | + | AVERAGEMASS 382.32036 |
| − | SMILES O(C)c(c62)c(o1)c(cc2C(C(C(O6)5)(O)c(c3)c(OC5)cc(O4)c(OC4)3)=O)cc1 | + | SMILES O(C)c(c62)c(o1)c(cc2C(C(C(O6)5)(O)c(c3)c(OC5)cc(O4)c(OC4)3)=O)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 33 0 0 0 0 0 0 0 0999 V2000
-1.7464 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7464 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1901 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6338 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6338 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1901 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0775 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4788 0.2791 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.4788 0.9215 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0775 1.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0349 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0349 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6297 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2245 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2245 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6297 0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0775 -0.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6567 0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0351 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4788 -0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3573 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7349 0.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3573 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 -1.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4555 -1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7349 -1.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9120 1.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4754 2.7153 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 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 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 9 1 0 0 0 0
8 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 2 1 0 0 0 0
13 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 14 1 0 0 0 0
6 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -0.912 1.8157
S SKP 8
ID FLIFHXNF0005
KNApSAcK_ID C00009586
NAME 12a-Hydroxypachyrrhizone
CAS_RN 28768-44-7
FORMULA C20H14O8
EXACTMASS 382.068867424
AVERAGEMASS 382.32036
SMILES O(C)c(c62)c(o1)c(cc2C(C(C(O6)5)(O)c(c3)c(OC5)cc(O4)c(OC4)3)=O)cc1
M END
