Mol:FL5FFANI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1318 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1318 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1318 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1318 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5755 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5755 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0192 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0192 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0192 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0192 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5755 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5755 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5371 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5371 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0934 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0934 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0934 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0934 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5371 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5371 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5371 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5371 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6495 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6495 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2165 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2165 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7834 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7834 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7834 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7834 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2165 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2165 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6495 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6495 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5755 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5755 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3503 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3503 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6879 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6879 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2428 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2428 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7965 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7965 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3503 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3503 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7965 -1.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7965 -1.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6879 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6879 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9594 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9594 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8254 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8254 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2975 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2975 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1390 1.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1390 1.9452 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 8 26 1 0 0 0 0 | + | 8 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 6 28 1 0 0 0 0 | + | 6 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 28 29 | + | M SAL 2 2 28 29 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 -0.2975 1.0455 | + | M SVB 2 30 -0.2975 1.0455 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 1.3037 -0.6761 | + | M SVB 1 28 1.3037 -0.6761 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFANI0004 | + | ID FL5FFANI0004 |
| − | KNApSAcK_ID C00005011 | + | KNApSAcK_ID C00005011 |
| − | NAME 5,7,4'-Trihydroxy-3,8-dimethoxy-6-prenylflavone;6-Prenylherbacetin 3,8-dimethyl ether;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,8-dimethoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME 5,7,4'-Trihydroxy-3,8-dimethoxy-6-prenylflavone;6-Prenylherbacetin 3,8-dimethyl ether;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,8-dimethoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 156298-97-4 | + | CAS_RN 156298-97-4 |
| − | FORMULA C22H22O7 | + | FORMULA C22H22O7 |
| − | EXACTMASS 398.136553058 | + | EXACTMASS 398.136553058 |
| − | AVERAGEMASS 398.40588 | + | AVERAGEMASS 398.40588 |
| − | SMILES c(c3)(ccc(c3)C(O2)=C(OC)C(=O)c(c21)c(O)c(c(O)c(OC)1)CC=C(C)C)O | + | SMILES c(c3)(ccc(c3)C(O2)=C(OC)C(=O)c(c21)c(O)c(c(O)c(OC)1)CC=C(C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.1318 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1318 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0934 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0934 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6495 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7834 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7834 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6495 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3503 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6879 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2428 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3503 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -1.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6879 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9594 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8254 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2975 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1390 1.9452 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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
1 25 1 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
6 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 -0.2975 1.0455
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 1.3037 -0.6761
S SKP 8
ID FL5FFANI0004
KNApSAcK_ID C00005011
NAME 5,7,4'-Trihydroxy-3,8-dimethoxy-6-prenylflavone;6-Prenylherbacetin 3,8-dimethyl ether;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,8-dimethoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 156298-97-4
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES c(c3)(ccc(c3)C(O2)=C(OC)C(=O)c(c21)c(O)c(c(O)c(OC)1)CC=C(C)C)O
M END
