ferruginene C

Properties Image MNX_ID MNXM105127 reference chebi:67893 formula C22H30O3 global charge 0 mol weight 342.479 InChIKey LQECQNLKIZLVSL-PAMZHZACSA-N InChI InChI=1S/C22H30O3/c1-13(2)19(23)9-7-16(5)17-8-6-14(3)10-18(17)22-20(24)11-15(4)12-21(22)25/h10-12,17-19,23-25H,1,5-9H2,2-4H3/t17-,18+,19?/m0/s1 SMILES C=C(C)C(O)CCC(=C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C=C(C)C=C1O MNX internals InChI (mnx) InChI=1/C22H30O3/c1-13(2)19(23)9-7-16(5)17-8-6-14(3)10-18(17)22-20(24)11-15(4)12-21(22)25/h10-12,17-19,23-25H,1,5-9H2,2-4H3/t17-,18+,19?/m0/s1 SMILES (mnx) [CH2:1]=[C:13]([CH3:2])[CH:19]([CH2:9][CH2:7][C:16](=[CH2:5])[C@@H:17]1[CH2:8][CH2:6][C:14]([CH3:3])=[CH:10][C@H:18]1[C:22]1=[C:20]([OH:24])[CH:11]=[C:15]([CH3:4])[CH:12]=[C:21]1[OH:25])[OH:23]

Parent-child relations graph

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