Mol:FLIDBANI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3409 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3409 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3409 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3409 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7846 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7846 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2283 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2283 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2283 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2283 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7846 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7846 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6720 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6720 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1157 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1157 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1157 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1157 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6720 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6720 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4404 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4404 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4404 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4404 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0352 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6300 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6300 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6300 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6300 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0352 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6703 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6703 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8970 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8970 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2242 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2242 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8970 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8970 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8970 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8970 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4519 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4519 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4519 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4519 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0068 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0068 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2242 0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2242 0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8184 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8184 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4126 0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4126 0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0068 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0068 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4126 1.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4126 1.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2210 -0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2210 -0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5065 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5065 -0.4145 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 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 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 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 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 33 -6.7538 4.4059 | + | M SBV 1 33 -6.7538 4.4059 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDBANI0003 | + | ID FLIDBANI0003 |
| − | KNApSAcK_ID C00010018 | + | KNApSAcK_ID C00010018 |
| − | NAME 1-Methoxyficifolinol;3,9-Dihydroxy-1-methoxy-2,8-diprenylpterocarpan | + | NAME 1-Methoxyficifolinol;3,9-Dihydroxy-1-methoxy-2,8-diprenylpterocarpan |
| − | CAS_RN 129280-35-9 | + | CAS_RN 129280-35-9 |
| − | FORMULA C26H30O5 | + | FORMULA C26H30O5 |
| − | EXACTMASS 422.20932407 | + | EXACTMASS 422.20932407 |
| − | AVERAGEMASS 422.5134 | + | AVERAGEMASS 422.5134 |
| − | SMILES C(Cc(c4OC)c(O)cc(c41)OCC(c32)C(Oc(cc(O)c(c3)CC=C(C)C)2)1)=C(C)C | + | SMILES C(Cc(c4OC)c(O)cc(c41)OCC(c32)C(Oc(cc(O)c(c3)CC=C(C)C)2)1)=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.3409 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3409 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7846 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2283 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2283 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7846 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6720 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1157 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1157 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6720 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4404 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4404 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6300 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6300 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6703 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8970 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2242 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8970 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8970 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4519 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4519 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0068 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2242 0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8184 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4126 0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0068 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4126 1.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2210 -0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5065 -0.4145 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 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 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 11 1 0 0 0 0
7 17 1 0 0 0 0
12 17 1 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
2 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
15 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
3 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SBV 1 33 -6.7538 4.4059
S SKP 8
ID FLIDBANI0003
KNApSAcK_ID C00010018
NAME 1-Methoxyficifolinol;3,9-Dihydroxy-1-methoxy-2,8-diprenylpterocarpan
CAS_RN 129280-35-9
FORMULA C26H30O5
EXACTMASS 422.20932407
AVERAGEMASS 422.5134
SMILES C(Cc(c4OC)c(O)cc(c41)OCC(c32)C(Oc(cc(O)c(c3)CC=C(C)C)2)1)=C(C)C
M END
