lespeflorin C3

Properties Image MNX_ID MNXM106131 reference chebi:66564 formula C21H24O5 global charge 0 mol weight 356.418 InChIKey XTDORSAGLFPXGX-IBGZPJMESA-N InChI InChI=1S/C21H24O5/c1-13(2)4-7-15-11-17(20(26-3)12-18(15)23)21(25)19(24)10-14-5-8-16(22)9-6-14/h4-6,8-9,11-12,19,22-24H,7,10H2,1-3H3/t19-/m0/s1 SMILES COC1=CC(O)=C(CC=C(C)C)C=C1C(=O)[C@@H](O)CC1=CC=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C21H24O5/c1-13(2)4-7-15-11-17(20(26-3)12-18(15)23)21(25)19(24)10-14-5-8-16(22)9-6-14/h4-6,8-9,11-12,19,22-24H,7,10H2,1-3H3/t19-/m0/s1 SMILES (mnx) [CH3:1][C:13]([CH3:2])=[CH:4][CH2:7][C:15]1=[CH:11][C:17]([C:21]([C@H:19]([CH2:10][C:14]2=[CH:6][CH:9]=[C:16]([OH:22])[CH:8]=[CH:5]2)[OH:24])=[O:25])=[C:20]([O:26][CH3:3])[CH:12]=[C:18]1[OH:23]

Parent-child relations graph

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