loroxanthin

Properties Image MNX_ID MNXM60363 reference metacycM:CPD-14851 formula C40H56O3 global charge 0 mol weight 584.885 InChIKey ODGGKCNQKSEQNL-CWBMHJDKSA-N InChI InChI=1S/C40H56O3/c1-29(16-12-17-31(3)20-22-37-32(4)24-35(42)26-39(37,6)7)14-10-11-15-30(2)18-13-19-34(28-41)21-23-38-33(5)25-36(43)27-40(38,8)9/h10-24,35-37,41-43H,25-28H2,1-9H3/b11-10+,16-12+,18-13+,22-20+,23-21+,29-14+,30-15+,31-17+,34-19-/t35-,36+,37-/m0/s1 SMILES CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C=C/C1=C(C)C[C@@H](O)CC1(C)C)CO MNX internals InChI (mnx) InChI=1/C40H56O3/c1-29(16-12-17-31(3)20-22-37-32(4)24-35(42)26-39(37,6)7)14-10-11-15-30(2)18-13-19-34(28-41)21-23-38-33(5)25-36(43)27-40(38,8)9/h10-24,35-37,41-43H,25-28H2,1-9H3/b11-10+,16-12+,18-13+,22-20+,23-21+,29-14+,30-15+,31-17+,34-19-/t35-,36+,37-/m0/s1 SMILES (mnx) [CH3:1][C:29](=[CH:14]\[CH:10]=[CH:11]\[CH:15]=[C:30]([CH3:2])\[CH:18]=[CH:13]\[CH:19]=[C:34](\[CH:21]=[CH:23]\[C:38]1=[C:33]([CH3:5])[CH2:25][C@@H:36]([OH:43])[CH2:27][C:40]1([CH3:8])[CH3:9])[CH2:28][OH:41])/[CH:16]=[CH:12]/[CH:17]=[C:31]([CH3:3])/[CH:20]=[CH:22]/[C@H:37]1[C:32]([CH3:4])=[CH:24][C@H:35]([OH:42])[CH2:26][C:39]1([CH3:6])[CH3:7]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0