Mol:FL3FECNS0010
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2410 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2410 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1284 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1284 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1284 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1284 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5721 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0158 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0158 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0158 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0158 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5721 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5721 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5403 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1072 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1072 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6742 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6742 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6742 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6742 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1072 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1072 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5403 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7971 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7971 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1072 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1072 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2410 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2410 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9555 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9555 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9555 -0.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9555 -0.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2410 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 -1.1394 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 23 -4.1245 2.8325 | + | M SBV 1 23 -4.1245 2.8325 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 ^OCH3 | + | M SMT 2 ^OCH3 |
| − | M SBV 2 25 -5.4058 2.5967 | + | M SBV 2 25 -5.4058 2.5967 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECNS0010 | + | ID FL3FECNS0010 |
| − | KNApSAcK_ID C00003891 | + | KNApSAcK_ID C00003891 |
| − | NAME Desmethoxycentaureidin;5,7,3'-Trihydroxy-6,4'-dimethoxyflavone;Demethoxycentaureidin;5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one | + | NAME Desmethoxycentaureidin;5,7,3'-Trihydroxy-6,4'-dimethoxyflavone;Demethoxycentaureidin;5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 22934-99-2 | + | CAS_RN 22934-99-2 |
| − | FORMULA C17H14O7 | + | FORMULA C17H14O7 |
| − | EXACTMASS 330.073952802 | + | EXACTMASS 330.073952802 |
| − | AVERAGEMASS 330.28886 | + | AVERAGEMASS 330.28886 |
| − | SMILES COc(c3)c(O)cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c(O)1 | + | SMILES COc(c3)c(O)cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.2410 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9555 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9555 -0.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 -1.1394 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
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -4.1245 2.8325
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 ^OCH3
M SBV 2 25 -5.4058 2.5967
S SKP 8
ID FL3FECNS0010
KNApSAcK_ID C00003891
NAME Desmethoxycentaureidin;5,7,3'-Trihydroxy-6,4'-dimethoxyflavone;Demethoxycentaureidin;5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
CAS_RN 22934-99-2
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c3)c(O)cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c(O)1
M END
