记录说明
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate 收自 NPASS。关联生物包括 Centroceras clavulatum。
C21H22O9
式量由分子式和标准同位素质量计算,418.126382。
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate 收自 NPASS。关联生物包括 Centroceras clavulatum。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
c1cc(ccc1C=CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](Oc2ccc(cc2)O)O1)O)O)O)O
InChIKey
DTBYJDROKVCOQC-QNDFHXLGSA-N
IUPAC
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate