3-Epimoretenol

Properties Image MNX_ID MNXM117407 reference chebi:175451 formula C30H50O global charge 0 mol weight 426.729 InChIKey LFPVZIIPFONRSW-UHFFFAOYSA-N InChI InChI=1S/C30H50O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-25,31H,1,9-18H2,2-8H3 SMILES C=C(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3CCC21C MNX internals InChI (mnx) InChI=1/C30H50O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-25,31H,1,9-18H2,2-8H3/t20?,21?,22?,23?,24?,25?,27?,28?,29?,30? SMILES (mnx) [CH2:1]=[C:19]([CH3:2])[CH:20]1[CH2:11][CH2:15][C:27]2([CH3:5])[CH:21]1[CH2:12][CH2:17][C:29]1([CH3:7])[CH:23]2[CH2:9][CH2:10][CH:24]2[C:28]3([CH3:6])[CH2:16][CH2:14][CH:25]([OH:31])[C:26]([CH3:3])([CH3:4])[CH:22]3[CH2:13][CH2:18][C:30]21[CH3:8]

Parent-child relations graph

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