crassumolide A

Properties Image MNX_ID MNXM104079 reference chebi:65670 formula C20H28O3 global charge 0 mol weight 316.441 InChIKey BIDNFRVXQJTBCI-XXYAPWOQSA-N InChI InChI=1S/C20H28O3/c1-13-6-5-7-14(2)10-17(21)11-15(3)12-19-18(9-8-13)16(4)20(22)23-19/h7-8,11,17-19,21H,4-6,9-10,12H2,1-3H3/b13-8+,14-7+,15-11+/t17-,18+,19-/m0/s1 SMILES C=C1C(=O)O[C@H]2C/C(C)=C/[C@@H](O)C/C(C)=C/CC/C(C)=C/C[C@H]12 MNX internals InChI (mnx) InChI=1/C20H28O3/c1-13-6-5-7-14(2)10-17(21)11-15(3)12-19-18(9-8-13)16(4)20(22)23-19/h7-8,11,17-19,21H,4-6,9-10,12H2,1-3H3/b13-8+,14-7+,15-11+/t17-,18+,19-/m0/s1 SMILES (mnx) [CH3:1]/[C:13]1=[CH:8]\[CH2:9][C@@H:18]2[C:16](=[CH2:4])[C:20](=[O:22])[O:23][C@H:19]2[CH2:12]/[C:15]([CH3:3])=[CH:11]/[C@@H:17]([OH:21])[CH2:10]/[C:14]([CH3:2])=[CH:7]/[CH2:5][CH2:6]1

Parent-child relations graph

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