MSI_000016387

Unreliable

排名分数: 1.26
参考来源: Vitis vinifera (PO:0009086: endocarp)

M/z: 594.3331
Mass Window: 594.3331 ~ 594.3331 (0.0 ppm)

参考注释

3,5-dihydroxy-1-[12-hydroxy-11-isopropyl-6-methyl-3-(2-methylprop-1-en-1-yl)-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-isopropyl-8,8-dimethyl-1,5,6,7-tetrahydrophenanthren-4-one_[M]+ (BioDeep_00002143775)
3,5-dihydroxy-1-[12-hydroxy-11-isopropyl-6-methyl-3-(2-methylprop-1-en-1-yl)-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-isopropyl-8,8-dimethyl-1,5,6,7-tetrahydrophenanthren-4-one

Formula: C39H46O5 (594.3345065999999)
SMILES: CC(C)=CC1Oc2c(O)c(C(C)C)cc3ccc(C)c(c23)C1C1C(C(C)C)=C(O)C(=O)c2c1ccc1c2C(O)CCC1(C)C