MSI_000033779

Unreliable

排名分数: 0.65
参考来源: Posidonia oceanica (PO:0005352: xylem)

M/z: 531.0087
Mass Window: 531.0087 ~ 531.0087 (none)

参考注释

(1r,3r,4r,7r,8s,12s)-4-chloro-3,7,17-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁸]octadeca-5,17-dien-11-one_[M+H-H2O]+ (BioDeep_00002264777)
(1r,3r,4r,7r,8s,12s)-4-chloro-3,7,17-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁸]octadeca-5,17-dien-11-one

Formula: C20H21ClN2O8S3 (548.0148536)
SMILES: COc1ccc(C2SSS[C@@]34C[C@@]5(O)[C@@H](ON3C(=O)[C@@H]2N=C4O)[C@H](O)C=C[C@H]5Cl)c(O)c1OC