Mol:FLIABAGS0001
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 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0335 0.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0335 0.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4772 0.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4772 0.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0791 0.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0791 0.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6352 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6352 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6352 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6352 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2119 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2119 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7887 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7887 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7887 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7887 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2119 0.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2119 0.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4770 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4770 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0791 -0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0791 -0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2158 -1.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2158 -1.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3650 -0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3650 -0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3650 -1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3650 -1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9164 -1.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9164 -1.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4677 -1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4677 -1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4677 -0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4677 -0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9164 -0.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9164 -0.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0191 -1.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0191 -1.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1786 0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1786 0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8324 0.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8324 0.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3338 0.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3338 0.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8142 0.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8142 0.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2023 0.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2023 0.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7116 0.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7116 0.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0191 0.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0191 0.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3722 0.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3722 0.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0481 -0.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0481 -0.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9172 1.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9172 1.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2028 0.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2028 0.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3352 -0.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3352 -0.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3793 -0.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3793 -0.9610 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
| − | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 1 1 0 0 0 0 | + | 23 1 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 11 31 1 0 0 0 0 | + | 11 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 32 -8.2051 4.7573 | + | M SBV 1 32 -8.2051 4.7573 |
| − | 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 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 34 -8.4137 3.6675 | + | M SBV 2 34 -8.4137 3.6675 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIABAGS0001 | + | ID FLIABAGS0001 |
| − | KNApSAcK_ID C00010166 | + | KNApSAcK_ID C00010166 |
| − | NAME 5-O-Methylgenistein 7-O-glucoside | + | NAME 5-O-Methylgenistein 7-O-glucoside |
| − | CAS_RN 128856-77-9 | + | CAS_RN 128856-77-9 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES C(C1O)(C(C(OC1Oc(c2)cc(OC)c(C3=O)c(OC=C(c(c4)ccc(c4)O)3)2)CO)O)O | + | SMILES C(C1O)(C(C(OC1Oc(c2)cc(OC)c(C3=O)c(OC=C(c(c4)ccc(c4)O)3)2)CO)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.0335 0.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4772 0.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0791 0.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6352 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6352 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2119 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7887 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7887 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2119 0.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4770 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0791 -0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2158 -1.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3650 -0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3650 -1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9164 -1.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4677 -1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4677 -0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9164 -0.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0191 -1.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1786 0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8324 0.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3338 0.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8142 0.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2023 0.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7116 0.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0191 0.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3722 0.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0481 -0.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9172 1.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2028 0.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3352 -0.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3793 -0.9610 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 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 12 2 0 0 0 0
7 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 1 1 0 0 0 0
25 29 1 0 0 0 0
29 30 1 0 0 0 0
11 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 ^CH2OH
M SBV 1 32 -8.2051 4.7573
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 OCH3
M SBV 2 34 -8.4137 3.6675
S SKP 8
ID FLIABAGS0001
KNApSAcK_ID C00010166
NAME 5-O-Methylgenistein 7-O-glucoside
CAS_RN 128856-77-9
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES C(C1O)(C(C(OC1Oc(c2)cc(OC)c(C3=O)c(OC=C(c(c4)ccc(c4)O)3)2)CO)O)O
M END
