Mol:FL3FCDCS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3007 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3007 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3007 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3007 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7444 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7444 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1881 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1881 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1881 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1881 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7444 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7444 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6318 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6318 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0755 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0755 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0755 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0755 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6318 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6318 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6318 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6318 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4990 2.0489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.4990 2.0489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.1046 1.5901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.1046 1.5901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8477 0.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8477 0.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8408 0.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8408 0.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.3775 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3775 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6825 1.3332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.6825 1.3332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.2025 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2025 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6748 2.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6748 2.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4831 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4831 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7444 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7444 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5424 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5424 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1287 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1287 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7149 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7149 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7149 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7149 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1287 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1287 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5424 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5424 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3007 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3007 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6580 -0.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6580 -0.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1581 0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1581 0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2474 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2474 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5329 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5329 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5809 -1.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5809 -1.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4470 -1.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4470 -1.6149 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 |
| − | 12 13 1 1 0 0 0 | + | 12 13 1 1 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 15 14 1 1 0 0 0 | + | 15 14 1 1 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 6 15 1 0 0 0 0 | + | 6 15 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 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 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 9 1 0 0 0 0 | + | 22 9 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 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 |
| − | 17 31 1 0 0 0 0 | + | 17 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 24 33 1 0 0 0 0 | + | 24 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 31 32 | + | M SAL 3 2 31 32 |
| − | M SBL 3 1 34 | + | M SBL 3 1 34 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 34 -1.2474 1.5845 | + | M SVB 3 34 -1.2474 1.5845 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 36 1.9435 -0.8213 | + | M SVB 2 36 1.9435 -0.8213 |
| − | 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 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 -2.658 -0.338 | + | M SVB 1 32 -2.658 -0.338 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FCDCS0001 | + | ID FL3FCDCS0001 |
| − | KNApSAcK_ID C00006141 | + | KNApSAcK_ID C00006141 |
| − | NAME Orientin 7,3'-dimethyl ether | + | NAME Orientin 7,3'-dimethyl ether |
| − | CAS_RN 89915-55-9 | + | CAS_RN 89915-55-9 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES O[C@@H]([C@H]1O)[C@H](O)[C@H](c(c42)c(cc(O)c(C(=O)C=C(O4)c(c3)cc(c(c3)O)OC)2)OC)OC1CO | + | SMILES O[C@@H]([C@H]1O)[C@H](O)[C@H](c(c42)c(cc(O)c(C(=O)C=C(O4)c(c3)cc(c(c3)O)OC)2)OC)OC1CO |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.3007 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3007 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7444 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1881 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1881 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7444 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6318 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0755 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0755 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6318 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6318 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4990 2.0489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1046 1.5901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8477 0.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8408 0.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3775 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6825 1.3332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.2025 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6748 2.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4831 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7444 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5424 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1287 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7149 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7149 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1287 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5424 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3007 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6580 -0.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1581 0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2474 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5329 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5809 -1.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4470 -1.6149 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
12 13 1 1 0 0 0
13 14 1 1 0 0 0
15 14 1 1 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 12 1 0 0 0 0
12 18 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
6 15 1 0 0 0 0
3 21 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
22 9 1 0 0 0 0
25 28 1 0 0 0 0
1 29 1 0 0 0 0
29 30 1 0 0 0 0
17 31 1 0 0 0 0
31 32 1 0 0 0 0
24 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 31 32
M SBL 3 1 34
M SMT 3 CH2OH
M SVB 3 34 -1.2474 1.5845
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 OCH3
M SVB 2 36 1.9435 -0.8213
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -2.658 -0.338
S SKP 8
ID FL3FCDCS0001
KNApSAcK_ID C00006141
NAME Orientin 7,3'-dimethyl ether
CAS_RN 89915-55-9
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES O[C@@H]([C@H]1O)[C@H](O)[C@H](c(c42)c(cc(O)c(C(=O)C=C(O4)c(c3)cc(c(c3)O)OC)2)OC)OC1CO
M END
