Aurasperone D

Properties Image MNX_ID MNXM43013 reference chebi:2925 formula C31H24O10 global charge 0 mol weight 556.523 InChIKey DVSATZLPJVYIRI-UHFFFAOYSA-N InChI InChI=1S/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-20(38-4)27(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-19(34)23(16)29(36)26-18(33)7-13(2)41-31(24)26/h6-11,34-36H,1-5H3 SMILES COC1=CC2=C(C(O)=C1)C(O)=C1C(=O)C=C(C)OC1=C2C1=C(OC)C2=C(C=C3OC(C)=CC(=O)C3=C2O)C=C1OC MNX internals InChI (mnx) InChI=1/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-20(38-4)27(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-19(34)23(16)29(36)26-18(33)7-13(2)41-31(24)26/h6-11,34-36H,1-5H3 SMILES (mnx) [CH3:1][C:12]1=[CH:6][C:17](=[O:32])[C:25]2=[C:21]([CH:9]=[C:14]3[CH:8]=[C:20]([O:38][CH3:4])[C:27]([C:24]4=[C:31]5[C:26](=[C:29]([OH:36])[C:23]6=[C:16]4[CH:10]=[C:15]([O:37][CH3:3])[CH:11]=[C:19]6[OH:34])[C:18](=[O:33])[CH:7]=[C:13]([CH3:2])[O:41]5)=[C:30]([O:39][CH3:5])[C:22]3=[C:28]2[OH:35])[O:40]1

Parent-child relations graph

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