MSI_000033432

Unreliable

排名分数: 2.07
参考来源: Posidonia oceanica (PO:0005352: xylem)

M/z: 718.1304
Mass Window: 718.1304 ~ 718.1304 (none)

参考注释

(2e,4e,6e)-7-[(7s,8ar)-8a-[(2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl]-5-bromo-7-{[(3r,5r)-3,5-dihydroxyhexanoyl]oxy}-7-methyl-6,8-dioxo-1h-isochromen-3-yl]hepta-2,4,6-trienoic acid_[M]+ (BioDeep_00002177701)
(2e,4e,6e)-7-[(7s,8ar)-8a-[(2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl]-5-bromo-7-{[(3r,5r)-3,5-dihydroxyhexanoyl]oxy}-7-methyl-6,8-dioxo-1h-isochromen-3-yl]hepta-2,4,6-trienoic acid

Formula: C33H35BrO13 (718.126092)
SMILES: COc1cc(C[C@]23COC(/C=C/C=C/C=C/C(=O)O)=CC2=C(Br)C(=O)[C@@](C)(OC(=O)C[C@H](O)C[C@@H](C)O)C3=O)c(C(C)=O)c(O)c1O