MSI_000017299
Reliable
排名分数: 3.16
参考来源: Vitis vinifera (PO:0009087: mesocarp)
M/z: 462.0493
Mass Window: 462.0492 ~ 462.0493 (0.5 ppm)
参考注释
[(1s,13s,15s)-8,15-dihydroxy-13-methoxy-1-methyl-12,17-dioxo-14-oxapentacyclo[11.6.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-2,4,6,8,10,16(20)-hexaen-5-yl]oxidanesulfonic acid_[M]+ (BioDeep_00002080516)[(1s,13s,15s)-8,15-dihydroxy-13-methoxy-1-methyl-12,17-dioxo-14-oxapentacyclo[11.6.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-2,4,6,8,10,16(20)-hexaen-5-yl]oxidanesulfonic acid
Formula: C21H18O10S (462.06206480000003)
SMILES:
CO[C@]12O[C@H](O)C3=C1[C@@](C)(CCC3=O)c1cc3c(OS(=O)(=O)O)ccc(O)c3cc1C2=O
