Mol:FLIHBANP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5045 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5045 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5045 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5045 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9482 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9482 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3919 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3919 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3919 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3919 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9482 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9482 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1644 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1644 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7207 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7207 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7207 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7207 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1644 0.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1644 0.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2768 -1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2768 -1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2768 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2768 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8716 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8716 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4663 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4663 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4663 -1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4663 -1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8716 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8716 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2768 0.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2768 0.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0608 0.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0608 0.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6171 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6171 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6171 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6171 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0608 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0608 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6171 0.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6171 0.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1302 -0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1302 -0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1644 -1.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1644 -1.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1302 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1302 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9482 0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9482 0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3921 1.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3921 1.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3921 1.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3921 1.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9470 2.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9470 2.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 2.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1628 2.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3847 -1.2301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3847 -1.2301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6702 -1.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6702 -1.6426 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 |
| − | 1 18 1 0 0 0 0 | + | 1 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 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 7 24 1 0 0 0 0 | + | 7 24 1 0 0 0 0 |
| − | 25 14 1 0 0 0 0 | + | 25 14 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 34 -5.2987 3.9203 | + | M SBV 1 34 -5.2987 3.9203 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIHBANP0002 | + | ID FLIHBANP0002 |
| − | KNApSAcK_ID C00009793 | + | KNApSAcK_ID C00009793 |
| − | NAME Lonchocarpic acid;Chandanin | + | NAME Lonchocarpic acid;Chandanin |
| − | CAS_RN 5490-47-1 | + | CAS_RN 5490-47-1 |
| − | FORMULA C26H26O6 | + | FORMULA C26H26O6 |
| − | EXACTMASS 434.172938564 | + | EXACTMASS 434.172938564 |
| − | AVERAGEMASS 434.48103999999995 | + | AVERAGEMASS 434.48103999999995 |
| − | SMILES C(c41)=CC(Oc1c(CC=C(C)C)c(O2)c(c4OC)C(=C(c(c3)ccc(c3)O)C(=O)2)O)(C)C | + | SMILES C(c41)=CC(Oc1c(CC=C(C)C)c(O2)c(c4OC)C(=C(c(c3)ccc(c3)O)C(=O)2)O)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.5045 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5045 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9482 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3919 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3919 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9482 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1644 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7207 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7207 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1644 0.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2768 -1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2768 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8716 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4663 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4663 -1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8716 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2768 0.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0608 0.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6171 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6171 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0608 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6171 0.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1302 -0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1644 -1.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1302 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9482 0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3921 1.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3921 1.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9470 2.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 2.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3847 -1.2301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6702 -1.6426 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 2 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
7 24 1 0 0 0 0
25 14 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
3 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -5.2987 3.9203
S SKP 8
ID FLIHBANP0002
KNApSAcK_ID C00009793
NAME Lonchocarpic acid;Chandanin
CAS_RN 5490-47-1
FORMULA C26H26O6
EXACTMASS 434.172938564
AVERAGEMASS 434.48103999999995
SMILES C(c41)=CC(Oc1c(CC=C(C)C)c(O2)c(c4OC)C(=C(c(c3)ccc(c3)O)C(=O)2)O)(C)C
M END
