Mol:FLIHBBNP0001
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 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6483 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6483 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6483 0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6483 0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0920 -0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0920 -0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5357 0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5357 0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5357 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5357 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0920 1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0920 1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0206 -0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0206 -0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5769 0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5769 0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5769 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5769 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0206 1.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0206 1.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1330 -0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1330 -0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1330 -0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1330 -0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7278 -1.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7278 -1.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3226 -0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3226 -0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3226 -0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3226 -0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7278 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7278 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1330 1.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1330 1.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2046 1.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2046 1.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7609 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7609 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7609 0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7609 0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2046 -0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2046 -0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7609 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7609 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2740 0.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2740 0.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0206 -0.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0206 -0.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5284 -0.2992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5284 -0.2992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8140 -0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8140 -0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1886 -1.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1886 -1.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0547 -1.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0547 -1.8253 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 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 14 27 1 0 0 0 0 | + | 14 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 2 2 27 28 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 2.5595 -1.0316 | + | M SVB 2 30 2.5595 -1.0316 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -1.5284 -0.2992 | + | M SVB 1 28 -1.5284 -0.2992 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIHBBNP0001 | + | ID FLIHBBNP0001 |
| − | KNApSAcK_ID C00009787 | + | KNApSAcK_ID C00009787 |
| − | NAME Robustic acid | + | NAME Robustic acid |
| − | CAS_RN 5307-59-5 | + | CAS_RN 5307-59-5 |
| − | FORMULA C22H20O6 | + | FORMULA C22H20O6 |
| − | EXACTMASS 380.125988372 | + | EXACTMASS 380.125988372 |
| − | AVERAGEMASS 380.3906 | + | AVERAGEMASS 380.3906 |
| − | SMILES O(C)c(c4)ccc(c4)C(C3=O)=C(c(c(O3)1)c(c(C=2)c(OC(C2)(C)C)c1)OC)O | + | SMILES O(C)c(c4)ccc(c4)C(C3=O)=C(c(c(O3)1)c(c(C=2)c(OC(C2)(C)C)c1)OC)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-1.6483 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6483 0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0920 -0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5357 0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5357 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0920 1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0206 -0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5769 0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5769 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0206 1.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1330 -0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1330 -0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7278 -1.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3226 -0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3226 -0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7278 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1330 1.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2046 1.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7609 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7609 0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2046 -0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7609 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2740 0.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0206 -0.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5284 -0.2992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8140 -0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1886 -1.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0547 -1.8253 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
3 25 1 0 0 0 0
25 26 1 0 0 0 0
14 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 2.5595 -1.0316
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -1.5284 -0.2992
S SKP 8
ID FLIHBBNP0001
KNApSAcK_ID C00009787
NAME Robustic acid
CAS_RN 5307-59-5
FORMULA C22H20O6
EXACTMASS 380.125988372
AVERAGEMASS 380.3906
SMILES O(C)c(c4)ccc(c4)C(C3=O)=C(c(c(O3)1)c(c(C=2)c(OC(C2)(C)C)c1)OC)O
M END
