(4Z,9a)-9-Angeloyloxy-4,10(14)-oplopadien-3-one

Properties Image MNX_ID MNXM115173 reference hmdb:HMDB0034631 formula C20H28O3 global charge 0 mol weight 316.441 InChIKey PGPPNCWYWQGYAU-FHGRNIPQSA-N InChI InChI=1S/C20H28O3/c1-7-12(5)20(22)23-18-10-15(11(3)4)19-14(8-2)17(21)9-16(19)13(18)6/h7-8,11,15-16,18-19H,6,9-10H2,1-5H3/b12-7-,14-8+ SMILES C=C1C(OC(=O)/C(C)=C\C)CC(C(C)C)C2/C(=C/C)C(=O)CC12 MNX internals InChI (mnx) InChI=1/C20H28O3/c1-7-12(5)20(22)23-18-10-15(11(3)4)19-14(8-2)17(21)9-16(19)13(18)6/h7-8,11,15-16,18-19H,6,9-10H2,1-5H3/b12-7-,14-8+/t15?,16?,18?,19? SMILES (mnx) [CH3:1]/[CH:7]=[C:12](/[CH3:5])[C:20](=[O:22])[O:23][CH:18]1[CH2:10][CH:15]([CH:11]([CH3:3])[CH3:4])[CH:19]2/[C:14](=[CH:8]/[CH3:2])[C:17](=[O:21])[CH2:9][CH:16]2[C:13]1=[CH2:6]

Parent-child relations graph

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