MSI_000033057

Unreliable

排名分数: 2.46
参考来源: Posidonia oceanica (PO:0005352: xylem)

M/z: 651.4422
Mass Window: 651.4422 ~ 651.4422 (none)

参考注释

3-[(3s,3as,4r,5ar,6s,7s,9ar,9br)-3-[(2s)-2-hydroxy-6-methyl-5-methylideneheptan-2-yl]-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid_[M+H]+ (BioDeep_00002057078)
3-[(3s,3as,4r,5ar,6s,7s,9ar,9br)-3-[(2s)-2-hydroxy-6-methyl-5-methylideneheptan-2-yl]-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

Formula: C37H62O9 (650.4393602)
SMILES:

C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C