rel-(+)-(1S,4R,8S,10R)-1,4,8-trihydroxycembra-2E,6E,11Z-trien-20,10-olide

Properties Image MNX_ID MNXM108473 reference chebi:68873 formula C20H30O5 global charge 0 mol weight 350.455 InChIKey PZFBVODTZGEVTO-MCERNNHQSA-N InChI InChI=1S/C20H30O5/c1-14(2)20(24)9-6-15-12-16(25-17(15)21)13-19(4,23)8-5-7-18(3,22)10-11-20/h5,8,10-12,14,16,22-24H,6-7,9,13H2,1-4H3/b8-5+,11-10+/t16-,18+,19+,20+/m0/s1 SMILES CC(C)[C@]1(O)/C=C/[C@](C)(O)C/C=C/[C@@](C)(O)C[C@@H]2C=C(CC1)C(=O)O2 MNX internals InChI (mnx) InChI=1/C20H30O5/c1-14(2)20(24)9-6-15-12-16(25-17(15)21)13-19(4,23)8-5-7-18(3,22)10-11-20/h5,8,10-12,14,16,22-24H,6-7,9,13H2,1-4H3/b8-5+,11-10+/t16-,18+,19+,20+/m0/s1 SMILES (mnx) [CH3:1][CH:14]([CH3:2])[C@@:20]1([OH:24])[CH2:9][CH2:6][C:15]2=[CH:12][C@@H:16]([CH2:13][C@:19]([CH3:4])([OH:23])/[CH:8]=[CH:5]/[CH2:7][C@@:18]([CH3:3])([OH:22])/[CH:10]=[CH:11]/1)[O:25][C:17]2=[O:21]

Parent-child relations graph

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