carlactone carboxylate

Properties Image MNX_ID MNXM97458 reference metacycM:CPD-14651 formula C19H23O5 global charge -1 mol weight 331.388 InChIKey WUBRWXCVIPHXLX-DQBULIGTSA-M InChI InChI=1S/C19H24O5/c1-12-6-5-9-19(3,4)15(12)8-7-14(17(20)21)11-23-16-10-13(2)18(22)24-16/h7-8,10-11,16H,5-6,9H2,1-4H3,(H,20,21)/p-1/b8-7+,14-11+ SMILES CC1=CC(O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)[O-])OC1=O MNX internals InChI (mnx) InChI=1/C19H24O5/c1-12-6-5-9-19(3,4)15(12)8-7-14(17(20)21)11-23-16-10-13(2)18(22)24-16/h7-8,10-11,16H,5-6,9H2,1-4H3,(H,20,21)/b8-7+,14-11+/t16? SMILES (mnx) [CH3:1][C:12]1=[C:15](/[CH:8]=[CH:7]/[C:14](=[CH:11]\[O:23][CH:16]2[CH:10]=[C:13]([CH3:2])[C:18](=[O:22])[O:24]2)[C:17](=[O:20])[OH:21])[C:19]([CH3:3])([CH3:4])[CH2:9][CH2:5][CH2:6]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0