6beta,7beta-Dihydroxykaurenoic acid

Properties Image MNX_ID MNXM11491 reference chebi:29502 formula C20H30O4 global charge 0 mol weight 334.456 InChIKey MXCZWKLLVGCJTB-MFOCMZDKSA-N InChI InChI=1S/C20H30O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(21)16(20)22/h12-16,21-22H,1,4-10H2,2-3H3,(H,23,24)/t12-,13+,14+,15+,16+,18+,19-,20+/m1/s1 SMILES C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@H](O)[C@@H]3O MNX internals InChI (mnx) InChI=1/C20H30O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(21)16(20)22/h12-16,21-22H,1,4-10H2,2-3H3,(H,23,24)/t12-,13+,14+,15+,16+,18+,19-,20+/m1/s1 SMILES (mnx) [CH2:1]=[C:11]1[CH2:9][C@:20]23[CH2:10][C@H:12]1[CH2:5][CH2:6][C@H:13]2[C@:18]1([CH3:2])[CH2:7][CH2:4][CH2:8][C@@:19]([CH3:3])([C:17](=[O:23])[OH:24])[C@H:15]1[C@H:14]([OH:21])[C@@H:16]3[OH:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 1