input word = C00025205

Metabolite InformationStructural formula
Name Rescinnamidine
2',3'-Dihydrorescinnamine
Formula C35H44N2O9
Mw 636.30468102
CAS RN 110222-52-1
C_ID C00025205 ,
InChIKey PYYLUPQQQNZLDO-ZVZRWGEGNA-N
InChICode InChI=1S/C35H44N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h8-9,13-14,16,20,24,26,29,31,34,36H,7,10-12,15,17-18H2,1-6H3/t20-,24-,26+,29-,31+,34+/m1/s1
SMILES c1c(cc2c(c1)c1c([nH]2)[C@H]2N(CC1)C[C@@H]1[C@@H](C2)[C@@H]([C@H]([C@@H](C1)OC(=O)CCc1cc(c(c(c1)OC)OC)OC)OC)C(=O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRauvolfia serpentina Ref.
PlantaeApocynaceaeRauwolfia serpentina Ref.
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