Chem
J-GLOBAL ID:200907050245560106
Nikkaji number:J1.889.121B
Flavescenone A
フラベスセノンA
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C21 H20 O7
Molecular formula furigana:
C21-H20-O7
Molecular weight:
384.384
InChI:
InChI=1S/C21H20O7/c1-10(2)3-4-11-14(22)7-18-19(20(11)24)21(25)13(8-26-18)12-5-16-17(6-15(12)23)28-9-27-16/h3,5-7,13,22-24H,4,8-9H2,1-2H3/t13-/m0/s1
InChI key:
KVXOATYTYZJCLO-ZDUSSCGKSA-N
SMILES:
CC(=CCc1c(O)cc2OC[C@H](C(=O)c2c1O)c1cc2OCOc2cc1O)C
Systematic name (3):
(3R)-5,7-ジヒドロキシ-3-(5-ヒドロキシ-1,3-ベンゾジオキソール-6-イル)-6-プレニル-2,3-ジヒドロ-4H-1-ベンゾピラン-4-オン
(3R)-5,7-ジヒドロキシ-3-(6-ヒドロキシ-2H-1,3-ベンゾジオキソール-5-イル)-6-(3-メチルブタ-2-エン-1-イル)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
(3R)-5,7-dihydroxy-3-(6-hydroxy-2H-1,3-benzodioxol-5-yl)-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
Other name (3):
(3R)-5,7-Dihydroxy-3-(5-hydroxy-1,3-benzodioxole-6-yl)-6-prenyl-2,3-dihydro-4H-1-benzopyran-4-one
Flavescenone A
フラベスセノンA
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