alpha-CMBHC

Properties Image MNX_ID MNXM10277 reference chebi:193504 formula C19H28O4 global charge 0 mol weight 320.429 InChIKey QWPNLVBAEZJBMI-UHFFFAOYSA-N InChI InChI=1S/C19H28O4/c1-11(18(21)22)7-6-9-19(5)10-8-15-14(4)16(20)12(2)13(3)17(15)23-19/h11,20H,6-10H2,1-5H3,(H,21,22) SMILES CC1=C(C)C2=C(CCC(C)(CCCC(C)C(=O)O)O2)C(C)=C1O MNX internals InChI (mnx) InChI=1/C19H28O4/c1-11(18(21)22)7-6-9-19(5)10-8-15-14(4)16(20)12(2)13(3)17(15)23-19/h11,20H,6-10H2,1-5H3,(H,21,22)/t11?,19? SMILES (mnx) [CH3:1][CH:11]([CH2:7][CH2:6][CH2:9][C:19]1([CH3:5])[CH2:10][CH2:8][C:15]2=[C:14]([CH3:4])[C:16]([OH:20])=[C:12]([CH3:2])[C:13]([CH3:3])=[C:17]2[O:23]1)[C:18](=[O:21])[OH:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0