Mol:FLIABCNF0002
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 |
| − | -2.2752 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2752 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2752 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2752 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7189 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7189 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1626 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1626 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1626 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1626 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7189 0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7189 0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6063 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6063 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0500 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0500 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0500 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0500 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6063 0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6063 0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5061 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5061 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5061 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5061 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1009 -1.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1009 -1.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6957 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6957 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6957 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6957 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1009 -0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1009 -0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6063 -1.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6063 -1.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3489 -1.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3489 -1.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7526 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7526 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3489 -0.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3489 -0.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8524 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8524 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4913 1.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4913 1.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7526 0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7526 0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1553 -0.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1553 -0.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4408 -1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4408 -1.0481 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 17 2 0 0 0 0 | + | 7 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 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 1 1 0 0 0 0 | + | 23 1 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 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 -5.6981 4.9480 | + | M SBV 1 28 -5.6981 4.9480 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIABCNF0002 | + | ID FLIABCNF0002 |
| − | KNApSAcK_ID C00009909 | + | KNApSAcK_ID C00009909 |
| − | NAME Garhwalin | + | NAME Garhwalin |
| − | CAS_RN 113023-68-0 | + | CAS_RN 113023-68-0 |
| − | FORMULA C19H12O6 | + | FORMULA C19H12O6 |
| − | EXACTMASS 336.063388116 | + | EXACTMASS 336.063388116 |
| − | AVERAGEMASS 336.29498 | + | AVERAGEMASS 336.29498 |
| − | SMILES c(c51)(OCO5)ccc(C(C2=O)=COc(c34)c(c(OC)cc3occ4)2)c1 | + | SMILES c(c51)(OCO5)ccc(C(C2=O)=COc(c34)c(c(OC)cc3occ4)2)c1 |
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
-2.2752 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2752 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7189 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1626 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1626 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7189 0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6063 -0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0500 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0500 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6063 0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5061 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5061 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1009 -1.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6957 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6957 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1009 -0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6063 -1.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3489 -1.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7526 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3489 -0.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8524 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4913 1.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7526 0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1553 -0.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4408 -1.0481 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 1 0 0 0 0
8 9 2 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
7 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
6 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 1 1 0 0 0 0
3 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 -5.6981 4.9480
S SKP 8
ID FLIABCNF0002
KNApSAcK_ID C00009909
NAME Garhwalin
CAS_RN 113023-68-0
FORMULA C19H12O6
EXACTMASS 336.063388116
AVERAGEMASS 336.29498
SMILES c(c51)(OCO5)ccc(C(C2=O)=COc(c34)c(c(OC)cc3occ4)2)c1
M END
