Mol:FL3FCBCS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4794 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4794 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4794 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4794 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9231 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9231 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3668 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3668 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3668 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3668 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9231 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9231 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8104 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8104 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2541 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2541 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2541 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2541 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8104 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8104 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8104 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8104 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6776 2.0489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.6776 2.0489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.2832 1.5901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.2832 1.5901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.0263 0.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0263 0.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.0194 0.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0194 0.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.5561 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5561 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8612 1.3332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.8612 1.3332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.3811 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3811 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8534 2.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8534 2.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6618 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6618 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9231 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9231 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3638 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3638 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9500 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9500 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5363 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5363 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5363 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5363 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9500 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9500 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3638 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3638 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4260 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4260 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7116 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7116 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1221 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1221 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8366 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8366 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8366 -0.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8366 -0.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3366 0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3366 0.5280 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 |
| − | 17 28 1 0 0 0 0 | + | 17 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 1 32 1 0 0 0 0 | + | 1 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 28 29 | + | M SAL 3 2 28 29 |
| − | M SBL 3 1 31 | + | M SBL 3 1 31 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 31 -1.426 1.5845 | + | M SVB 3 31 -1.426 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 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 35 -2.8366 -0.338 | + | M SVB 2 35 -2.8366 -0.338 |
| − | 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 SVB 1 33 2.1221 0.4001 | + | M SVB 1 33 2.1221 0.4001 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FCBCS0002 | + | ID FL3FCBCS0002 |
| − | KNApSAcK_ID C00006148 | + | KNApSAcK_ID C00006148 |
| − | NAME Isoembigenin;8-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Isoembigenin;8-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 20943-11-7 | + | CAS_RN 20943-11-7 |
| − | FORMULA C23H24O10 | + | FORMULA C23H24O10 |
| − | EXACTMASS 460.136946988 | + | EXACTMASS 460.136946988 |
| − | AVERAGEMASS 460.43066 | + | AVERAGEMASS 460.43066 |
| − | SMILES c(c1)c(ccc1C(=C3)Oc(c2[C@H](O4)[C@@H](O)[C@@H](O)[C@H](C4CO)O)c(C3=O)c(O)cc2OC)OC | + | SMILES c(c1)c(ccc1C(=C3)Oc(c2[C@H](O4)[C@@H](O)[C@@H](O)[C@H](C4CO)O)c(C3=O)c(O)cc2OC)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-2.4794 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4794 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9231 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3668 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3668 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9231 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8104 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2541 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2541 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8104 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8104 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6776 2.0489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.2832 1.5901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0263 0.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0194 0.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5561 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8612 1.3332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.3811 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8534 2.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6618 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9231 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3638 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9500 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5363 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5363 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9500 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3638 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4260 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7116 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1221 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8366 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8366 -0.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3366 0.5280 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
17 28 1 0 0 0 0
28 29 1 0 0 0 0
25 30 1 0 0 0 0
30 31 1 0 0 0 0
1 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 28 29
M SBL 3 1 31
M SMT 3 CH2OH
M SVB 3 31 -1.426 1.5845
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 OCH3
M SVB 2 35 -2.8366 -0.338
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 SVB 1 33 2.1221 0.4001
S SKP 8
ID FL3FCBCS0002
KNApSAcK_ID C00006148
NAME Isoembigenin;8-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 20943-11-7
FORMULA C23H24O10
EXACTMASS 460.136946988
AVERAGEMASS 460.43066
SMILES c(c1)c(ccc1C(=C3)Oc(c2[C@H](O4)[C@@H](O)[C@@H](O)[C@H](C4CO)O)c(C3=O)c(O)cc2OC)OC
M END
