MSI_000008873

Unreliable

排名分数: 3.23
参考来源: Mus musculus (UBERON:0004645: urinary bladder urothelium)

M/z: 810.5825
Mass Window: 810.5825 ~ 810.5825 (none)

参考注释

(1r)-3-[(1z,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4r)-4-(heptanoyloxy)-2,5,5-trimethyl-3-oxocyclopent-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,2,4-trimethyl-5-oxocyclopent-3-en-1-yl heptanoate_[M+NH4]+ (BioDeep_00002289350)
(1r)-3-[(1z,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4r)-4-(heptanoyloxy)-2,5,5-trimethyl-3-oxocyclopent-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,2,4-trimethyl-5-oxocyclopent-3-en-1-yl heptanoate

Formula: C52H72O6 (792.5328612000001)
SMILES:

CCCCCCC(=O)O[C@H]1C(=O)C(C)=C(/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)C(=O)[C@H](OC(=O)CCCCCC)C2(C)C)C1(C)C