Mol:FLIBHXNI0002
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 |
| − | -2.8958 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8958 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8958 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8958 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3395 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3395 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7832 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7832 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7832 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7832 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3395 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3395 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2269 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2269 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6706 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.6706 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6706 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6706 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2269 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2269 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1145 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1145 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1145 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1145 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4803 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4803 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0751 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0751 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0751 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0751 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4803 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4803 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2269 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2269 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4519 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4519 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3395 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3395 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9411 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9411 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2635 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2635 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8577 0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8577 0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8577 1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8577 1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4519 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4519 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1145 0.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1145 0.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7774 0.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7774 0.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2308 1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2308 1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9411 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9411 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8072 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8072 -1.6763 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 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 |
| − | 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 |
| − | 15 20 1 0 0 0 0 | + | 15 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 |
| − | 8 25 1 0 0 0 0 | + | 8 25 1 0 0 0 0 |
| − | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 14 28 1 0 0 0 0 | + | 14 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 1.3074 -0.8826 | + | M SVB 2 30 1.3074 -0.8826 |
| − | 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 0.7774 0.9379 | + | M SVB 1 28 0.7774 0.9379 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBHXNI0002 | + | ID FLIBHXNI0002 |
| − | KNApSAcK_ID C00009972 | + | KNApSAcK_ID C00009972 |
| − | NAME (+)-Echinoisoflavanone | + | NAME (+)-Echinoisoflavanone |
| − | CAS_RN 125300-49-4 | + | CAS_RN 125300-49-4 |
| − | FORMULA C22H24O7 | + | FORMULA C22H24O7 |
| − | EXACTMASS 400.152203122 | + | EXACTMASS 400.152203122 |
| − | AVERAGEMASS 400.42176000000006 | + | AVERAGEMASS 400.42176000000006 |
| − | SMILES c(c1CC=C(C)C)(ccc(C(C3=O)(COc(c32)cc(cc2O)O)O)c(OC)1)OC | + | SMILES c(c1CC=C(C)C)(ccc(C(C3=O)(COc(c32)cc(cc2O)O)O)c(OC)1)OC |
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
-2.8958 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8958 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7832 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7832 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6706 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6706 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1145 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1145 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0751 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0751 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4519 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9411 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2635 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8577 0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8577 1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4519 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1145 0.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7774 0.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2308 1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9411 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8072 -1.6763 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 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 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
8 25 1 0 0 0 0
16 26 1 0 0 0 0
26 27 1 0 0 0 0
14 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 1.3074 -0.8826
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 0.7774 0.9379
S SKP 8
ID FLIBHXNI0002
KNApSAcK_ID C00009972
NAME (+)-Echinoisoflavanone
CAS_RN 125300-49-4
FORMULA C22H24O7
EXACTMASS 400.152203122
AVERAGEMASS 400.42176000000006
SMILES c(c1CC=C(C)C)(ccc(C(C3=O)(COc(c32)cc(cc2O)O)O)c(OC)1)OC
M END
