Mol:FLIAAENI0003
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9052 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9052 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9052 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9052 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3489 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3489 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7926 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7926 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7926 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7926 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3489 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3489 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2363 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2363 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3200 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3200 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3200 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3200 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2363 0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2363 0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8761 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8761 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8761 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8761 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4709 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4709 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0657 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0657 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0657 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0657 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4709 -0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4709 -0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2363 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2363 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4613 0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4613 0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3489 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3489 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3489 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3489 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9050 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9050 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9050 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9050 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4611 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4611 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3489 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3489 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0172 1.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0172 1.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6599 -0.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6599 -0.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9317 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9317 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7978 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7978 -2.6395 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 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 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 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 23 25 | + | M SAL 2 2 23 25 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 25 -2.4611 2.2583 | + | M SVB 2 25 -2.4611 2.2583 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 2.3027 -1.8458 | + | M SVB 1 29 2.3027 -1.8458 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAENI0003 | + | ID FLIAAENI0003 |
| − | KNApSAcK_ID C00009904 | + | KNApSAcK_ID C00009904 |
| − | NAME Gancaonin D | + | NAME Gancaonin D |
| − | CAS_RN 124596-88-9 | + | CAS_RN 124596-88-9 |
| − | FORMULA C21H20O7 | + | FORMULA C21H20O7 |
| − | EXACTMASS 384.120902994 | + | EXACTMASS 384.120902994 |
| − | AVERAGEMASS 384.37929999999994 | + | AVERAGEMASS 384.37929999999994 |
| − | SMILES c(c3)(O)c(C1=O)c(c(CC=C(CO)C)c3O)OC=C(c(c2)cc(O)c(OC)c2)1 | + | SMILES c(c3)(O)c(C1=O)c(c(CC=C(CO)C)c3O)OC=C(c(c2)cc(O)c(OC)c2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.9052 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9052 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3489 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7926 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7926 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3489 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2363 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3200 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3200 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2363 0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8761 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8761 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4709 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0657 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0657 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4709 -0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2363 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4613 0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3489 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3489 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9050 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9050 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4611 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3489 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0172 1.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6599 -0.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9317 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7978 -2.6395 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
23 25 1 0 0 0 0
15 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 23 25
M SBL 2 1 25
M SMT 2 CH2OH
M SVB 2 25 -2.4611 2.2583
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 2.3027 -1.8458
S SKP 8
ID FLIAAENI0003
KNApSAcK_ID C00009904
NAME Gancaonin D
CAS_RN 124596-88-9
FORMULA C21H20O7
EXACTMASS 384.120902994
AVERAGEMASS 384.37929999999994
SMILES c(c3)(O)c(C1=O)c(c(CC=C(CO)C)c3O)OC=C(c(c2)cc(O)c(OC)c2)1
M END
