MSI_000035402

Unreliable

排名分数: 0.22
参考来源: Posidonia oceanica (PO:0006203: pericycle)

M/z: 614.0454
Mass Window: 614.0454 ~ 614.0454 (none)


参考注释
(1s,2s,4r,12s,13r,15r,16s)-2-bromo-8-[(2r,3s)-1,1-dichloro-3-hydroxy-3-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-5(10),6,8-triene-11,17-dione_[M]+ (BioDeep_00002072619)
(1s,2s,4r,12s,13r,15r,16s)-2-bromo-8-[(2r,3s)-1,1-dichloro-3-hydroxy-3-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-16-hydroxy-9,13-dimethyl-18-oxapentacyclo[13.2.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-5(10),6,8-triene-11,17-dione

Formula: C27H29BrCl2O7 (614.0473604)
SMILES: Cc1c([C@@H](C(Cl)Cl)[C@H](O)[C@H]2C[C@@H](C)C(=O)O2)ccc2c1C(=O)[C@H]1[C@H]2C[C@H](Br)[C@]23O[C@H](C[C@]12C)[C@H](O)C3=O