input word = C00001762

Metabolite InformationStructural formula
Name Rescinnamine
Formula C35H42N2O9
Mw 634.28903096
CAS RN 84-34-4
C_ID C00001762 ,
InChIKey SZLZWPPUNLXJEA-QSKQJCRHNA-N
InChICode InChI=1S/C35H42N2O9/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/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1
SMILES c12c3c([nH]c1[C@@H]1N(CC2)C[C@@H]2[C@H](C1)[C@@H]([C@H]([C@@H](C2)OC(=O)/C=C/c1cc(c(c(c1)OC)OC)OC)OC)C(=O)OC)cc(cc3)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRauvolfia macrophylla Ref.
PlantaeApocynaceaeRauvolfia nitida Ref.
PlantaeApocynaceaeRauvolfia serpentina Ref.
PlantaeApocynaceaeRauvolfia sp. Ref.
PlantaeApocynaceaeRauvolfia vomitoria Ref.
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