Mol:FL1CA9NP0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.2672 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2672 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2672 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2672 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8235 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8235 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3798 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3798 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3798 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3798 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8235 0.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8235 0.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1339 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1339 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6902 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6902 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5778 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5778 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0169 -0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0169 -0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5778 -1.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5778 -1.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0169 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0169 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4643 0.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4643 0.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0884 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0884 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0884 -0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0884 -0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4643 -0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4643 -0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4643 -1.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4643 -1.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6410 0.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6410 0.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1937 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1937 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1937 -0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1937 -0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6410 -0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6410 -0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1937 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1937 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8315 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8315 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4685 0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4685 0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1056 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1056 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7427 0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7427 0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7427 1.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7427 1.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3798 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3798 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5695 0.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5695 0.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2840 0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2840 0.3452 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 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 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 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 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 12 29 1 0 0 0 0 | + | 12 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 31 -4.3436 5.9056 | + | M SBV 1 31 -4.3436 5.9056 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NP0008 | + | ID FL1CA9NP0008 |
| − | KNApSAcK_ID C00007132 | + | KNApSAcK_ID C00007132 |
| − | NAME Boesenbergin B | + | NAME Boesenbergin B |
| − | CAS_RN 93208-46-9 | + | CAS_RN 93208-46-9 |
| − | FORMULA C26H28O4 | + | FORMULA C26H28O4 |
| − | EXACTMASS 404.19875938399997 | + | EXACTMASS 404.19875938399997 |
| − | AVERAGEMASS 404.49812 | + | AVERAGEMASS 404.49812 |
| − | SMILES C(c(c3)cccc3)=CC(=O)c(c(OC)2)c(c(C=1)c(c2)OC(C1)(C)CCC=C(C)C)O | + | SMILES C(c(c3)cccc3)=CC(=O)c(c(OC)2)c(c(C=1)c(c2)OC(C1)(C)CCC=C(C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
3.2672 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2672 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8235 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3798 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3798 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8235 0.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1339 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6902 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5778 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0169 -0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5778 -1.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0169 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4643 0.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0884 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0884 -0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4643 -0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4643 -1.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6410 0.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1937 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1937 -0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6410 -0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1937 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8315 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4685 0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1056 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7427 0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7427 1.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3798 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5695 0.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2840 0.3452 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 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 21 2 0 0 0 0
21 15 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
12 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 31
M SMT 1 OCH3
M SBV 1 31 -4.3436 5.9056
S SKP 8
ID FL1CA9NP0008
KNApSAcK_ID C00007132
NAME Boesenbergin B
CAS_RN 93208-46-9
FORMULA C26H28O4
EXACTMASS 404.19875938399997
AVERAGEMASS 404.49812
SMILES C(c(c3)cccc3)=CC(=O)c(c(OC)2)c(c(C=1)c(c2)OC(C1)(C)CCC=C(C)C)O
M END
