记录说明
1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]-3-methyl 收自 NPASS。关联生物包括 Phacelocarpus labillardieri。
C32H36O14
式量由分子式和标准同位素质量计算,644.210506。
1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]-3-methyl 收自 NPASS。关联生物包括 Phacelocarpus labillardieri。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC(C)CC(=O)c1c(cc(c([C@@H]2c3c(cc(cc3O[C@@H](c3ccc(cc3)O)[C@H]2O)O)O)c1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O
InChIKey
CUJWFXHCPVQMHD-GFJLKBKBSA-N
CAS:这里用的两张来源表里没有。
IUPAC
1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]-3-methylbutan-1-one