Mol:FL5FCENI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3203 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3203 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3203 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3203 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7640 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7640 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2077 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2077 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2077 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2077 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7640 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7640 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6514 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6514 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0951 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0951 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0951 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0951 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6514 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6514 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6514 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6514 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4610 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4610 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0280 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0280 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5949 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5949 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5949 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5949 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0280 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0280 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4610 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4610 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4847 -1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4847 -1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7640 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7640 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7640 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7640 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0280 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0280 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3201 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3201 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3201 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3201 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8762 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8762 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7640 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7640 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1617 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1617 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8762 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8762 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6776 0.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6776 0.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1777 1.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1777 1.1638 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 |
| − | 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 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 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 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 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 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 28 29 | + | M SAL 2 2 28 29 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 -2.6776 0.2978 | + | M SVB 2 30 -2.6776 0.2978 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 2.1617 0.9821 | + | M SVB 1 28 2.1617 0.9821 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCENI0001 | + | ID FL5FCENI0001 |
| − | KNApSAcK_ID C00005026 | + | KNApSAcK_ID C00005026 |
| − | NAME Rhynchospermin | + | NAME Rhynchospermin |
| − | CAS_RN 80370-37-2 | + | CAS_RN 80370-37-2 |
| − | FORMULA C22H22O7 | + | FORMULA C22H22O7 |
| − | EXACTMASS 398.136553058 | + | EXACTMASS 398.136553058 |
| − | AVERAGEMASS 398.40588 | + | AVERAGEMASS 398.40588 |
| − | SMILES c(c1)c(OC)c(cc1C(=C3O)Oc(c(CC=C(C)C)2)c(C3=O)c(O)cc(OC)2)O | + | SMILES c(c1)c(OC)c(cc1C(=C3O)Oc(c(CC=C(C)C)2)c(C3=O)c(O)cc(OC)2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-2.3203 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3203 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2077 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2077 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6514 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0951 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0951 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6514 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6514 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4610 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0280 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0280 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4610 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4847 -1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0280 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3201 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3201 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8762 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1617 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8762 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6776 0.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1777 1.1638 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
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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
16 21 1 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 -2.6776 0.2978
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 2.1617 0.9821
S SKP 8
ID FL5FCENI0001
KNApSAcK_ID C00005026
NAME Rhynchospermin
CAS_RN 80370-37-2
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES c(c1)c(OC)c(cc1C(=C3O)Oc(c(CC=C(C)C)2)c(C3=O)c(O)cc(OC)2)O
M END
