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 latifrons
ReferenceJi, et al., Pharmacological Action and Application of Available Antitumor Composition of Traditional Chinese Medicine, Heilongjiang Science and technology Press, Heilongjiang, (1998).

Edited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Chang, et al., Dictionary of Chemistry, Science Press, Beijing, (2008)