2',3'-Dihydro-phytomenadione

Properties Image MNX_ID MNXM116234 reference hmdb:HMDB0034839 formula C31H48O2 global charge 0 mol weight 452.723 InChIKey XOQNYHSBHIIJMQ-UHFFFAOYSA-N InChI InChI=1S/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-19,22-25H,9-17,20-21H2,1-6H3 SMILES CC1=C(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)C2=CC=CC=C2C1=O MNX internals InChI (mnx) InChI=1/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-19,22-25H,9-17,20-21H2,1-6H3/t23?,24?,25? SMILES (mnx) [CH3:1][CH:22]([CH3:2])[CH2:12][CH2:9][CH2:13][CH:23]([CH3:3])[CH2:14][CH2:10][CH2:15][CH:24]([CH3:4])[CH2:16][CH2:11][CH2:17][CH:25]([CH3:5])[CH2:20][CH2:21][C:27]1=[C:26]([CH3:6])[C:30](=[O:32])[C:28]2=[CH:18][CH:7]=[CH:8][CH:19]=[C:29]2[C:31]1=[O:33]

Parent-child relations graph

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