N-coumaroyl tyramine-4-O-beta-D-glucopyranoside

Properties Image MNX_ID MNXM1132391 reference metacycM:CPD-23497 formula C23H27NO8 global charge 0 mol weight 445.468 InChIKey OOBDDBRSHCJHJR-XLWWBJCMSA-N InChI InChI=1S/C23H27NO8/c25-13-18-20(28)21(29)22(30)23(32-18)31-17-8-3-15(4-9-17)11-12-24-19(27)10-5-14-1-6-16(26)7-2-14/h1-10,18,20-23,25-26,28-30H,11-13H2,(H,24,27)/b10-5+/t18-,20-,21+,22-,23-/m1/s1 SMILES O=C(/C=C/C1=CC=C(O)C=C1)NCCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1 MNX internals InChI (mnx) InChI=1/C23H27NO8/c25-13-18-20(28)21(29)22(30)23(32-18)31-17-8-3-15(4-9-17)11-12-24-19(27)10-5-14-1-6-16(26)7-2-14/h1-10,18,20-23,25-26,28-30H,11-13H2,(H,24,27)/b10-5+/t18-,20-,21+,22-,23-/m1/s1 SMILES (mnx) [CH:1]1=[CH:6][C:16]([OH:26])=[CH:7][CH:2]=[C:14]1/[CH:5]=[CH:10]/[C:19](=[N:24]/[CH2:12][CH2:11][C:15]1=[CH:4][CH:9]=[C:17]([O:31][C@H:23]2[C@H:22]([OH:30])[C@@H:21]([OH:29])[C@H:20]([OH:28])[C@@H:18]([CH2:13][OH:25])[O:32]2)[CH:8]=[CH:3]1)[OH:27]

Parent-child relations graph

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