MSI_000052053

Unreliable

排名分数: 2.34
参考来源: Homo sapiens (UBERON:0001052: rectum)

M/z: 808.4884
Mass Window: 808.4884 ~ 808.4884 (none)

参考注释

Calenduloside G methyl ester_[M]+ (BioDeep_00000023846)
10-{[3,5-dihydroxy-6-(methoxycarbonyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula: C43H68O14 (808.4608828)
SMILES:

CC(CC[C@]1(C(O)=O)CC[C@]23C)(C[C@@]1([H])C2=CC[C@]4([H])[C@]5(CC[C@H](O[C@H]6[C@H](O)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H](O6)C(OC)=O)C(C)([C@]5([H])CC[C@]43C)C)C)C

Calenduloside G methyl ester is a constituent of Calendula officinalis (pot marigold). Constituent of Calendula officinalis (pot marigold)