3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone

Properties Image MNX_ID MNXM4333 reference chebi:18298 formula C31H48O3 global charge 0 mol weight 468.722 InChIKey OOJSROHRRKVBFW-MNBFGQJISA-N InChI InChI=1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31(34)26(6)29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,22-24,26,34H,9-17,21H2,1-6H3/b25-20+/t23-,24-,26?,31?/m1/s1 SMILES C/C(=C\CC1(O)C(=O)C2=C(C=CC=C2)C(=O)C1C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C MNX internals InChI (mnx) InChI=1/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31(34)26(6)29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,22-24,26,34H,9-17,21H2,1-6H3/b25-20+/t23-,24-,26?,31?/m1/s1 SMILES (mnx) [CH3:1][CH:22]([CH3:2])[CH2:12][CH2:9][CH2:13][C@@H:23]([CH3:3])[CH2:14][CH2:10][CH2:15][C@@H:24]([CH3:4])[CH2:16][CH2:11][CH2:17]/[C:25]([CH3:5])=[CH:20]/[CH2:21][C:31]1([OH:34])[CH:26]([CH3:6])[C:29](=[O:32])[C:27]2=[CH:18][CH:7]=[CH:8][CH:19]=[C:28]2[C:30]1=[O:33]

Parent-child relations graph

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