Mol:FLICALNI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3409 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3409 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3409 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3409 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7846 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7846 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2283 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2283 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2283 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2283 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7846 1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7846 1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6720 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6720 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1157 0.3309 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.1157 0.3309 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.1157 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1157 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6720 1.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6720 1.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4404 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4404 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4404 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4404 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0352 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6300 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6300 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6300 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6300 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0352 0.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 0.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0352 1.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 1.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2242 -1.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2242 -1.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8970 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8970 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8970 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8970 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4519 -0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4519 -0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4519 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4519 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0068 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0068 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2242 0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2242 0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8184 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8184 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4126 0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4126 0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0068 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0068 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4126 1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4126 1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6981 1.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6981 1.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1981 2.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1981 2.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2210 -0.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2210 -0.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5065 -0.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5065 -0.5633 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 33 -2.221 -0.1508 | + | M SVB 2 33 -2.221 -0.1508 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 -2.6981 1.592 | + | M SVB 1 31 -2.6981 1.592 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLICALNI0002 | + | ID FLICALNI0002 |
| − | KNApSAcK_ID C00010036 | + | KNApSAcK_ID C00010036 |
| − | NAME 7-O-Methyllicoricidin;Licorisoflavan A;(+)-2',4'-Dihydroxy-5,7-dimethoxy-6,3'-diprenylisoflavan | + | NAME 7-O-Methyllicoricidin;Licorisoflavan A;(+)-2',4'-Dihydroxy-5,7-dimethoxy-6,3'-diprenylisoflavan |
| − | CAS_RN 129314-37-0 | + | CAS_RN 129314-37-0 |
| − | FORMULA C27H34O5 | + | FORMULA C27H34O5 |
| − | EXACTMASS 438.240624198 | + | EXACTMASS 438.240624198 |
| − | AVERAGEMASS 438.55586000000005 | + | AVERAGEMASS 438.55586000000005 |
| − | SMILES C(=CCc(c3OC)c(cc(c31)OCC(c(c2)c(c(c(c2)O)CC=C(C)C)O)C1)OC)(C)C | + | SMILES C(=CCc(c3OC)c(cc(c31)OCC(c(c2)c(c(c(c2)O)CC=C(C)C)O)C1)OC)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-2.3409 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3409 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7846 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2283 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2283 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7846 1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6720 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1157 0.3309 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1157 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6720 1.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4404 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4404 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6300 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6300 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 0.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 1.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2242 -1.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8970 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8970 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4519 -0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4519 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0068 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2242 0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8184 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4126 0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0068 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4126 1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6981 1.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1981 2.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2210 -0.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5065 -0.5633 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
16 17 1 0 0 0 0
14 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
1 29 1 0 0 0 0
29 30 1 0 0 0 0
3 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 33
M SMT 2 OCH3
M SVB 2 33 -2.221 -0.1508
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 -2.6981 1.592
S SKP 8
ID FLICALNI0002
KNApSAcK_ID C00010036
NAME 7-O-Methyllicoricidin;Licorisoflavan A;(+)-2',4'-Dihydroxy-5,7-dimethoxy-6,3'-diprenylisoflavan
CAS_RN 129314-37-0
FORMULA C27H34O5
EXACTMASS 438.240624198
AVERAGEMASS 438.55586000000005
SMILES C(=CCc(c3OC)c(cc(c31)OCC(c(c2)c(c(c(c2)O)CC=C(C)C)O)C1)OC)(C)C
M END
