MSI_000016221

Unreliable

排名分数: 2.16
参考来源: Vitis vinifera (PO:0009085: exocarp)

M/z: 650.4393
Mass Window: 650.4393 ~ 650.4393 (0.2 ppm)

参考注释

(4as,6br,10r,12as,12br,14as)-10-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2,2,6b,9,9,12a,12b,14a-octamethyl-3,4,5,7,8,8a,10,11,12,13,14,14b-dodecahydro-1h-picene-4a-carboxylic acid_[M+NH4]+ (BioDeep_00002056530)
(4as,6br,10r,12as,12br,14as)-10-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2,2,6b,9,9,12a,12b,14a-octamethyl-3,4,5,7,8,8a,10,11,12,13,14,14b-dodecahydro-1h-picene-4a-carboxylic acid

Formula: C40H56O6 (632.4076676)
SMILES: CC1(C)CC[C@]2(C(=O)O)CC=C3[C@@](C)(CC[C@]4(C)[C@@]5(C)CC[C@@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)C5CC[C@@]34C)C2C1