monacolin J

Properties Image MNX_ID MNXM158067 reference chebi:79034 formula C19H28O4 global charge 0 mol weight 320.429 InChIKey ZDFOBOYQVYMVCW-IRUSZSJRSA-N InChI InChI=1S/C19H28O4/c1-11-7-13-4-3-12(2)16(19(13)17(21)8-11)6-5-15-9-14(20)10-18(22)23-15/h3-4,7,11-12,14-17,19-21H,5-6,8-10H2,1-2H3/t11-,12-,14+,15+,16-,17-,19-/m0/s1 SMILES C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](O)C1 MNX internals InChI (mnx) InChI=1/C19H28O4/c1-11-7-13-4-3-12(2)16(19(13)17(21)8-11)6-5-15-9-14(20)10-18(22)23-15/h3-4,7,11-12,14-17,19-21H,5-6,8-10H2,1-2H3/t11-,12-,14+,15+,16-,17-,19-/m0/s1 SMILES (mnx) [CH3:1][C@H:11]1[CH:7]=[C:13]2[CH:4]=[CH:3][C@H:12]([CH3:2])[C@H:16]([CH2:6][CH2:5][C@@H:15]3[CH2:9][C@@H:14]([OH:20])[CH2:10][C:18](=[O:22])[O:23]3)[C@H:19]2[C@@H:17]([OH:21])[CH2:8]1

Parent-child relations graph

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