Isohelianol

Properties Image MNX_ID MNXM126848 reference hmdb:HMDB0032851 formula C30H52O global charge 0 mol weight 428.745 InChIKey PDGUDHUKTNJAMM-UHFFFAOYSA-N InChI InChI=1S/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3 SMILES CC(C)=CCCC(C)C1CCC2(C)C3CCC(=C(C)C)C(CCCO)C3(C)CCC12C MNX internals InChI (mnx) InChI=1/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3/t23?,25?,26?,27?,28?,29?,30? SMILES (mnx) [CH3:1][C:21]([CH3:2])=[CH:11][CH2:9][CH2:12][CH:23]([CH3:5])[CH:25]1[CH2:16][CH2:17][C:30]2([CH3:8])[CH:27]3[CH2:15][CH2:14][C:24](=[C:22]([CH3:3])[CH3:4])[CH:26]([CH2:13][CH2:10][CH2:20][OH:31])[C:28]3([CH3:6])[CH2:18][CH2:19][C:29]12[CH3:7]

Parent-child relations graph

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