MSI_000057026

Unreliable

排名分数: 1.45
参考来源: Homo sapiens (UBERON:0007779: transudate)

M/z: 539.3551
Mass Window: 539.3551 ~ 539.3551 (none)

参考注释

3-Benzoyloxy-6-oxo-12-ursen-28-oic acid_[M+H-2H2O]+ (BioDeep_00000034388)
10-(benzoyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-8-oxo-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: C37H50O5 (574.365805)
SMILES:

C[C@@H]1CC[C@@]2(C(O)=O)[C@@](C3=CC[C@@]([C@](CC[C@H](OC(C4=CC=CC=C4)=O)C5(C)C)(C)[C@@]5([H])C(C6)=O)([H])[C@]6(C)[C@]3(C)CC2)([H])[C@H]1C

3-Benzoyloxy-6-oxo-12-ursen-28-oic acid is found in fruits. 3-Benzoyloxy-6-oxo-12-ursen-28-oic acid is a constituent of the famine food Momordica dioica. Constituent of the famine food Momordica dioica. 3-Benzoyloxy-6-oxo-12-ursen-28-oic acid is found in fruits.