Mol:FLIH1LNF0001
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 |
| − | -2.0196 0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0196 0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0196 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0196 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4633 -0.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4633 -0.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9070 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9070 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9070 0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9070 0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4633 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4633 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3507 -0.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3507 -0.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2056 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2056 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2056 0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2056 0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3507 1.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3507 1.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7617 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7617 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7617 -0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7617 -0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3565 -1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3565 -1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9512 -0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9512 -0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9512 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9512 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3565 0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3565 0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7617 1.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7617 1.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6044 -1.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6044 -1.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0081 -0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0081 -0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6044 0.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6044 0.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6306 1.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6306 1.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0081 0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0081 0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6306 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6306 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0472 -0.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0472 -0.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7617 -1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7617 -1.1663 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 2 0 0 0 0 | + | 7 8 2 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 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 |
| − | 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 |
| − | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 28 -6.2981 5.2896 | + | M SBV 1 28 -6.2981 5.2896 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIH1LNF0001 | + | ID FLIH1LNF0001 |
| − | KNApSAcK_ID C00009783 | + | KNApSAcK_ID C00009783 |
| − | NAME Pachyrrhizin;Neorautone | + | NAME Pachyrrhizin;Neorautone |
| − | CAS_RN 10091-01-7 | + | CAS_RN 10091-01-7 |
| − | FORMULA C19H12O6 | + | FORMULA C19H12O6 |
| − | EXACTMASS 336.063388116 | + | EXACTMASS 336.063388116 |
| − | AVERAGEMASS 336.29498 | + | AVERAGEMASS 336.29498 |
| − | SMILES c(c45)c(c(OC)cc4OCO5)C(=C3)C(=O)Oc(c32)cc(c1c2)occ1 | + | SMILES c(c45)c(c(OC)cc4OCO5)C(=C3)C(=O)Oc(c32)cc(c1c2)occ1 |
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
-2.0196 0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0196 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4633 -0.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9070 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9070 0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4633 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3507 -0.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3507 1.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 -0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3565 -1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9512 -0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9512 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3565 0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 1.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6044 -1.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0081 -0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6044 0.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 1.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0081 0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0472 -0.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 -1.1663 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 2 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
1 2 1 0 0 0 0
9 17 2 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
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
12 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 28
M SMT 1 ^OCH3
M SBV 1 28 -6.2981 5.2896
S SKP 8
ID FLIH1LNF0001
KNApSAcK_ID C00009783
NAME Pachyrrhizin;Neorautone
CAS_RN 10091-01-7
FORMULA C19H12O6
EXACTMASS 336.063388116
AVERAGEMASS 336.29498
SMILES c(c45)c(c(OC)cc4OCO5)C(=C3)C(=O)Oc(c32)cc(c1c2)occ1
M END
