MSI_000037250

Unreliable

排名分数: 1.98
参考来源: Posidonia oceanica (UBERON:0000329: hair root)

M/z: 545.0715
Mass Window: 545.0715 ~ 545.0715 (none)

参考注释

(1r,3s,4r,7r,8s,12s,13r)-3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁸]octadec-5-ene-11,17-dione_[M+H]+ (BioDeep_00002076215)
(1r,3s,4r,7r,8s,12s,13r)-3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁸]octadec-5-ene-11,17-dione

Formula: C21H24N2O9S3 (544.0643894)
SMILES: COc1ccc([C@H]2SSS[C@@]34C[C@@]5(O)[C@@H](ON3C(=O)[C@@H]2N(C)C4=O)[C@H](O)C=C[C@H]5O)c(O)c1OC