记录说明
[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 收自 NPASS。关联生物包括 Colpomenia sinuosa。
C32H30O14
式量由分子式和标准同位素质量计算,638.163556。
[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 收自 NPASS。关联生物包括 Colpomenia sinuosa。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
COc1cc(/C=C/C(=O)Oc2cc3c(c(=O)cc(c4ccc(cc4)O)o3)c(c2[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O)cc(c1O)OC
InChIKey
GKDNXBQBKUXXDE-PCKHUVAXSA-N
IUPAC
[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate