记录说明
[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate 收自 NPASS。关联生物包括 Spermatochnus paradoxus。
C29H32O16
式量由分子式和标准同位素质量计算,636.169035。
[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate 收自 NPASS。关联生物包括 Spermatochnus paradoxus。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@@H]1c1c(cc(c2c(=O)cc(c3ccc(cc3)O)oc12)O)O)O)O)O)O)O
InChIKey
STVDBJBIGCSBKU-KMYNSWEWSA-N
CAS:这里用的两张来源表里没有。
IUPAC
[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate