MSI_000009218

Unreliable

排名分数: 2.86
参考来源: Mus musculus (UBERON:0004645: urinary bladder urothelium)

M/z: 821.5468
Mass Window: 821.5468 ~ 821.5468 (none)

参考注释

(2r,3as,3bs,8s,9ar,9br,11ar)-1-[(4e)-6-(acetyloxy)-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-8-hydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-1h,2h,3h,3bh,4h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-2-yl (9z,12z)-octadeca-9,12-dienoate_[M+H]+ (BioDeep_00002196408)
(2r,3as,3bs,8s,9ar,9br,11ar)-1-[(4e)-6-(acetyloxy)-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-8-hydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-1h,2h,3h,3bh,4h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-2-yl (9z,12z)-octadeca-9,12-dienoate

Formula: C50H76O9 (820.5489046)
SMILES:

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)C1C(C)(O)C(=O)/C=C/C(C)(C)OC(C)=O