Allogibberic acid

Properties Image MNX_ID MNXM40836 reference chebi:2598 formula C18H20O3 global charge 0 mol weight 284.355 InChIKey IFYWTLQMNWNCFH-WCZJQEMASA-N InChI InChI=1S/C18H20O3/c1-10-4-3-5-12-13-6-7-18(21)9-17(13,8-11(18)2)15(14(10)12)16(19)20/h3-5,13,15,21H,2,6-9H2,1H3,(H,19,20)/t13-,15-,17+,18+/m1/s1 SMILES C=C1C[C@]23C[C@@]1(O)CC[C@@H]2C1=CC=CC(C)=C1[C@@H]3C(=O)O MNX internals InChI (mnx) InChI=1/C18H20O3/c1-10-4-3-5-12-13-6-7-18(21)9-17(13,8-11(18)2)15(14(10)12)16(19)20/h3-5,13,15,21H,2,6-9H2,1H3,(H,19,20)/t13-,15-,17+,18+/m1/s1 SMILES (mnx) [CH3:1][C:10]1=[C:14]2[C:12](=[CH:5][CH:3]=[CH:4]1)[C@H:13]1[CH2:6][CH2:7][C@:18]3([OH:21])[CH2:9][C@:17]1([CH2:8][C:11]3=[CH2:2])[C@H:15]2[C:16](=[O:19])[OH:20]

Parent-child relations graph

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