chi,chi-Caroten-18-ol

Properties Image MNX_ID MNXM9723 reference chebi:177826 formula C40H48O global charge 0 mol weight 544.823 InChIKey SJKJBVOTEODSQI-PRJKQOPHSA-N InChI InChI=1S/C40H48O/c1-29(16-12-18-31(3)20-23-38-25-22-33(5)34(6)35(38)7)14-10-11-15-30(2)17-13-19-32(4)21-24-39-26-27-40(28-41)37(9)36(39)8/h10-27,41H,28H2,1-9H3/b11-10+,16-12+,17-13+,23-20+,24-21+,29-14+,30-15+,31-18+,32-19+ SMILES CC1=CC=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=CC=C(CO)C(C)=C2C)C(C)=C1C MNX internals InChI (mnx) InChI=1/C40H48O/c1-29(16-12-18-31(3)20-23-38-25-22-33(5)34(6)35(38)7)14-10-11-15-30(2)17-13-19-32(4)21-24-39-26-27-40(28-41)37(9)36(39)8/h10-27,41H,28H2,1-9H3/b11-10+,16-12+,17-13+,23-20+,24-21+,29-14+,30-15+,31-18+,32-19+ SMILES (mnx) [CH3:1][C:29](=[CH:14]\[CH:10]=[CH:11]\[CH:15]=[C:30]([CH3:2])\[CH:17]=[CH:13]\[CH:19]=[C:32]([CH3:4])\[CH:21]=[CH:24]\[C:39]1=[C:36]([CH3:8])[C:37]([CH3:9])=[C:40]([CH2:28][OH:41])[CH:27]=[CH:26]1)/[CH:16]=[CH:12]/[CH:18]=[C:31]([CH3:3])/[CH:20]=[CH:23]/[C:38]1=[C:35]([CH3:7])[C:34]([CH3:6])=[C:33]([CH3:5])[CH:22]=[CH:25]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0