phaseollidin hydrate

Properties Image MNX_ID MNXM4773 reference chebi:17465 formula C20H22O5 global charge 0 mol weight 342.391 InChIKey KSSHIKBOZWMDTR-KXBFYZLASA-N InChI InChI=1S/C20H22O5/c1-20(2,23)8-7-13-16(22)6-5-12-15-10-24-17-9-11(21)3-4-14(17)19(15)25-18(12)13/h3-6,9,15,19,21-23H,7-8,10H2,1-2H3/t15-,19-/m0/s1 SMILES CC(C)(O)CCC1=C2O[C@H]3C4=C(C=C(O)C=C4)OC[C@H]3C2=CC=C1O MNX internals InChI (mnx) InChI=1/C20H22O5/c1-20(2,23)8-7-13-16(22)6-5-12-15-10-24-17-9-11(21)3-4-14(17)19(15)25-18(12)13/h3-6,9,15,19,21-23H,7-8,10H2,1-2H3/t15-,19-/m0/s1 SMILES (mnx) [CH3:1][C:20]([CH3:2])([CH2:8][CH2:7][C:13]1=[C:16]([OH:22])[CH:6]=[CH:5][C:12]2=[C:18]1[O:25][C@H:19]1[C:14]3=[C:17]([CH:9]=[C:11]([OH:21])[CH:3]=[CH:4]3)[O:24][CH2:10][C@@H:15]21)[OH:23]

Parent-child relations graph

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