homo-prejadomycin

Properties Image MNX_ID MNXM167936 reference metacycM:CPD-18168 formula C20H18O5 global charge 0 mol weight 338.359 InChIKey DDUSVFJYDLPPSQ-AZUAARDMSA-N InChI InChI=1S/C20H18O5/c1-2-10-6-14(22)18-12-7-11-4-3-5-13(21)16(11)19(24)17(12)15(23)9-20(18,25)8-10/h3-7,18,21,24-25H,2,8-9H2,1H3/t18-,20+/m0/s1 SMILES CCC1=CC(=O)[C@@H]2C3=CC4=CC=CC(O)=C4C(O)=C3C(=O)C[C@]2(O)C1 MNX internals InChI (mnx) InChI=1/C20H18O5/c1-2-10-6-14(22)18-12-7-11-4-3-5-13(21)16(11)19(24)17(12)15(23)9-20(18,25)8-10/h3-7,18,21,24-25H,2,8-9H2,1H3/t18-,20+/m0/s1 SMILES (mnx) [CH3:1][CH2:2][C:10]1=[CH:6][C:14](=[O:22])[C@@H:18]2[C:12]3=[C:17]([C:15](=[O:23])[CH2:9][C@:20]2([OH:25])[CH2:8]1)[C:19]([OH:24])=[C:16]1[C:11](=[CH:7]3)[CH:4]=[CH:3][CH:5]=[C:13]1[OH:21]

Parent-child relations graph

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