4beta-hydroxyobovatachromene

Properties Image MNX_ID MNXM37761 reference chebi:230551 formula C21H22O6 global charge 0 mol weight 370.401 InChIKey GUGLXICOVCCFRU-GBESFXJTSA-N InChI InChI=1S/C21H22O6/c1-21(2)9-8-13-14(27-21)10-15(25-3)16-17(23)18(24)19(26-20(13)16)11-4-6-12(22)7-5-11/h4-10,17-19,22-24H,1-3H3/t17-,18-,19+/m0/s1 SMILES COC1=CC2=C(C=CC(C)(C)O2)C2=C1[C@H](O)[C@H](O)[C@@H](C1=CC=C(O)C=C1)O2 MNX internals InChI (mnx) InChI=1/C21H22O6/c1-21(2)9-8-13-14(27-21)10-15(25-3)16-17(23)18(24)19(26-20(13)16)11-4-6-12(22)7-5-11/h4-10,17-19,22-24H,1-3H3/t17-,18-,19+/m0/s1 SMILES (mnx) [CH3:1][C:21]1([CH3:2])[CH:9]=[CH:8][C:13]2=[C:14]([CH:10]=[C:15]([O:25][CH3:3])[C:16]3=[C:20]2[O:26][C@H:19]([C:11]2=[CH:5][CH:7]=[C:12]([OH:22])[CH:6]=[CH:4]2)[C@@H:18]([OH:24])[C@H:17]3[OH:23])[O:27]1

Parent-child relations graph

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