input word = C00001763

Metabolite InformationStructural formula
Name Reserpine
Formula C33H40N2O9
Mw 608.27338089
CAS RN 50-55-5
C_ID C00001763 ,
InChIKey QEVHRUUCFGRFIF-PPSFJVAQNA-N
InChICode InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/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)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
PlantaeApocynaceaeAlstonia yunnanensis Ref.
PlantaeApocynaceaeCatharanthus roseus Ref.
PlantaeApocynaceaeRauvolfia latifrons Ref.
PlantaeApocynaceaeRauvolfia perakensis Ref.
PlantaeApocynaceaeRauvolfia serpentina Ref.
PlantaeApocynaceaeRauvolfia serpentine Ref.
PlantaeApocynaceaeRauvolfia sp. Ref.
PlantaeApocynaceaeRauvolfia verticillata Ref.
PlantaeApocynaceaeRauvolfia vomitoria Ref.
PlantaeApocynaceaeRauvolfia yunnanensis Ref.
PlantaeApocynaceaeRauwolfia nitida Ref.
PlantaeApocynaceaeRauwolfia serpentina Benth ex Kurz. Ref.
PlantaeApocynaceaeRauwolfia vomitoria Ref.
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OrganismRauvolfia vomitoria
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20