16beta,17-dihydroxy-ent-kaurane-19-oic acid

Properties Image MNX_ID MNXM101475 reference chebi:65778 formula C20H32O4 global charge 0 mol weight 336.472 InChIKey MRBLTWPEPGRXQN-WMUQSPHGSA-N InChI InChI=1S/C20H32O4/c1-17-7-3-8-18(2,16(22)23)14(17)6-9-19-10-13(4-5-15(17)19)20(24,11-19)12-21/h13-15,21,24H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,17-,18-,19+,20-/m1/s1 SMILES C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 MNX internals InChI (mnx) InChI=1/C20H32O4/c1-17-7-3-8-18(2,16(22)23)14(17)6-9-19-10-13(4-5-15(17)19)20(24,11-19)12-21/h13-15,21,24H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,17-,18-,19+,20-/m1/s1 SMILES (mnx) [CH3:1][C@@:17]12[CH2:7][CH2:3][CH2:8][C@@:18]([CH3:2])([C:16](=[O:22])[OH:23])[C@H:14]1[CH2:6][CH2:9][C@@:19]13[CH2:10][C@@H:13]([CH2:4][CH2:5][C@@H:15]21)[C@@:20]([CH2:12][OH:21])([OH:24])[CH2:11]3

Parent-child relations graph

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