Mol:FL5FAANI0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAANI0008 | + | ID FL5FAANI0008 |
| − | KNApSAcK_ID C00005020 | + | KNApSAcK_ID C00005020 |
| − | NAME Glyasperin A;3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Glyasperin A;3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 142474-52-0 | + | CAS_RN 142474-52-0 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES C(c(c1O)cc(C(=C(O)3)Oc(c(C3=O)2)cc(O)c(c2O)CC=C(C)C)cc1)C=C(C)C | + | SMILES C(c(c1O)cc(C(=C(O)3)Oc(c(C3=O)2)cc(O)c(c2O)CC=C(C)C)cc1)C=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.9797 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9797 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4234 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8671 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8671 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4234 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3108 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2456 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2456 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3108 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3108 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8016 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3686 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9356 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9356 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3686 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8016 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8253 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4234 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5024 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5358 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.5024 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0680 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6337 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1981 0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6337 -0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0 0
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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
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7 8 1 0 0 0 0
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10 5 1 0 0 0 0
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12 13 2 0 0 0 0
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14 15 2 0 0 0 0
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16 17 2 0 0 0 0
17 12 1 0 0 0 0
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2 21 1 0 0 0 0
1 22 1 0 0 0 0
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24 25 2 0 0 0 0
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25 27 1 0 0 0 0
21 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL5FAANI0008
KNApSAcK_ID C00005020
NAME Glyasperin A;3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 142474-52-0
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES C(c(c1O)cc(C(=C(O)3)Oc(c(C3=O)2)cc(O)c(c2O)CC=C(C)C)cc1)C=C(C)C
M END
