MSI_000009217

Unreliable

排名分数: 2.88
参考来源: Mus musculus (UBERON:0004645: urinary bladder urothelium)

M/z: 632.3634
Mass Window: 632.3634 ~ 632.3634 (none)

参考注释

Thuggacin A_[M+H]+ (BioDeep_00000241071)
(2E,6R,8Z,10E,12R,14R,15S)-3-hexyl-12,14-dihydroxy-15-methyl-6-[(1R,2S,5E,7E)-1,2,4-trihydroxy-3,5,7-trimethylnona-5,7-dienyl]-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-1(18),2,8,10,16(19)-pentaen-4-one

Formula: C35H53NO7S (631.3542548)
SMILES: O=C1OC(CC=CC=CC(O)CC(O)C(C2=NC(=CS2)C=C1CCCCCC)C)C(O)C(O)C(C)C(O)C(=CC(=CC)C)C