Romucosine B

Properties Image MNX_ID MNXM130351 reference hmdb:HMDB0036989 formula C19H18ClNO4 global charge 0 mol weight 359.809 InChIKey FFSNCZHOAOMPLR-UHFFFAOYSA-N InChI InChI=1S/C19H18ClNO4/c1-24-18-15-11-6-4-3-5-10(11)9-13-14(15)12(16(20)17(18)22)7-8-21(13)19(23)25-2/h3-6,13,22H,7-9H2,1-2H3 SMILES COC(=O)N1CCC2=C3C(=C(OC)C(O)=C2Cl)C2=C(C=CC=C2)CC31 MNX internals InChI (mnx) InChI=1/C19H18ClNO4/c1-24-18-15-11-6-4-3-5-10(11)9-13-14(15)12(16(20)17(18)22)7-8-21(13)19(23)25-2/h3-6,13,22H,7-9H2,1-2H3/t13? SMILES (mnx) [CH3:1][O:24][C:18]1=[C:17]([OH:22])[C:16]([Cl:20])=[C:12]2[CH2:7][CH2:8][N:21]([C:19](=[O:23])[O:25][CH3:2])[CH:13]3[CH2:9][C:10]4=[CH:5][CH:3]=[CH:4][CH:6]=[C:11]4[C:15]1=[C:14]23

Parent-child relations graph

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