Mol:FL3FEAGS0048
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 |
| − | -2.6290 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6290 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6290 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6290 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9145 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9145 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2001 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2001 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2001 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2001 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9145 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9145 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4856 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4856 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2289 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2289 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2289 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2289 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4856 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4856 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9434 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9434 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6578 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6578 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3723 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3723 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3723 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3723 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6578 1.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6578 1.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9434 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9434 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4856 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4856 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9145 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9145 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1186 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1186 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3486 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3486 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3159 -1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3159 -1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0262 -0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0262 -0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6621 -0.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6621 -0.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4558 -0.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4558 -0.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4472 0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4472 0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8604 0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8604 0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0667 0.6734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0667 0.6734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0752 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0752 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4688 -0.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4688 -0.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0833 -0.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0833 -0.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0132 -1.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0132 -1.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0953 -1.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0953 -1.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0262 -0.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0262 -0.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEAGS0048 | + | ID FL3FEAGS0048 |
| − | KNApSAcK_ID C00013635 | + | KNApSAcK_ID C00013635 |
| − | NAME Hispidulin 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one | + | NAME Hispidulin 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 244285-12-9 | + | CAS_RN 244285-12-9 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES O=C(c43)C=C(Oc(cc(O)c(c4O)OC)3)c(c1)ccc(OC(C(O)2)OC(CO)C(O)C2O)c1 | + | SMILES O=C(c43)C=C(Oc(cc(O)c(c4O)OC)3)c(c1)ccc(OC(C(O)2)OC(CO)C(O)C2O)c1 |
M END | M END | ||
| − | |||
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
-2.6290 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6290 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9145 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2001 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2001 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9145 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4856 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2289 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2289 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4856 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9434 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6578 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3723 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3723 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6578 1.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9434 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4856 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9145 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1186 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3486 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3159 -1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0262 -0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6621 -0.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4558 -0.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4472 0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8604 0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0667 0.6734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0752 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4688 -0.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0833 -0.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0132 -1.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0953 -1.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0262 -0.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
9 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 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 19 1 0 0 0 0
S SKP 8
ID FL3FEAGS0048
KNApSAcK_ID C00013635
NAME Hispidulin 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
CAS_RN 244285-12-9
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES O=C(c43)C=C(Oc(cc(O)c(c4O)OC)3)c(c1)ccc(OC(C(O)2)OC(CO)C(O)C2O)c1
M END
