(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid

Properties Image MNX_ID MNXM31095 reference chebi:63655 formula C18H28O6 global charge 0 mol weight 340.416 InChIKey ZDADMCPDUNEBIX-CGDZNSRRSA-N InChI InChI=1S/C18H28O6/c1-10-2-3-11-6-13(20)8-16(22)18(11)15(10)5-4-12(19)7-14(21)9-17(23)24/h2-3,6,10,12-16,18-22H,4-5,7-9H2,1H3,(H,23,24)/t10-,12+,13+,14+,15-,16-,18-/m0/s1 SMILES C[C@H]1C=CC2=C[C@@H](O)C[C@H](O)[C@@H]2[C@H]1CC[C@@H](O)C[C@@H](O)CC(=O)O MNX internals InChI (mnx) InChI=1/C18H28O6/c1-10-2-3-11-6-13(20)8-16(22)18(11)15(10)5-4-12(19)7-14(21)9-17(23)24/h2-3,6,10,12-16,18-22H,4-5,7-9H2,1H3,(H,23,24)/t10-,12+,13+,14+,15-,16-,18-/m0/s1 SMILES (mnx) [CH3:1][C@H:10]1[CH:2]=[CH:3][C:11]2=[CH:6][C@@H:13]([OH:20])[CH2:8][C@H:16]([OH:22])[C@@H:18]2[C@H:15]1[CH2:5][CH2:4][C@H:12]([CH2:7][C@H:14]([CH2:9][C:17](=[O:23])[OH:24])[OH:21])[OH:19]

Parent-child relations graph

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