(-)-epipodophyllotoxin

Properties Image MNX_ID MNXM165253 reference metacycM:CPD-18758 formula C22H22O8 global charge 0 mol weight 414.41 InChIKey YJGVMLPVUAXIQN-LGWHJFRWSA-N InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20+/m0/s1 SMILES COC1=CC([C@@H]2C3=C(C=C4OCOC4=C3)[C@@H](O)[C@H]3COC(=O)[C@H]23)=CC(OC)=C1OC MNX internals InChI (mnx) InChI=1/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20+/m0/s1 SMILES (mnx) [CH3:1][O:25][C:16]1=[C:21]([O:27][CH3:3])[C:17]([O:26][CH3:2])=[CH:5][C:10]([C@@H:18]2[C:11]3=[CH:6][C:14]4=[C:15]([CH:7]=[C:12]3[C@@H:20]([OH:23])[C@H:13]3[CH2:8][O:28][C:22](=[O:24])[C@@H:19]32)[O:30][CH2:9][O:29]4)=[CH:4]1

Parent-child relations graph

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