Acidissiminol

Properties Image MNX_ID MNXM118798 reference chebi:186615 formula C25H31NO3 global charge 0 mol weight 393.527 InChIKey FDTDKBQVKSHHIE-CAPFRKAQSA-N InChI InChI=1S/C25H31NO3/c1-19(2)9-14-24(27)20(3)16-18-29-23-12-10-21(11-13-23)15-17-26-25(28)22-7-5-4-6-8-22/h4-13,16,24,27H,14-15,17-18H2,1-3H3,(H,26,28)/b20-16+ SMILES CC(C)=CCC(O)/C(C)=C/COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1 MNX internals InChI (mnx) InChI=1/C25H31NO3/c1-19(2)9-14-24(27)20(3)16-18-29-23-12-10-21(11-13-23)15-17-26-25(28)22-7-5-4-6-8-22/h4-13,16,24,27H,14-15,17-18H2,1-3H3,(H,26,28)/b20-16+/t24? SMILES (mnx) [CH3:1][C:19]([CH3:2])=[CH:9][CH2:14][CH:24](/[C:20]([CH3:3])=[CH:16]/[CH2:18][O:29][C:23]1=[CH:13][CH:11]=[C:21]([CH2:15][CH2:17][N:26]=[C:25]([C:22]2=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]2)[OH:28])[CH:10]=[CH:12]1)[OH:27]

Parent-child relations graph

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