input word = C00045433

Metabolite InformationStructural formula
Name Vellosimine
(+)-Vellosimine
Formula C19H20N2O
Mw 292.15756328
CAS RN 6874-98-2
C_ID C00045433 ,
InChIKey MHASSCPGKAMILD-YALZJJMTNA-N
InChICode InChI=1S/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13-,15+,17-,18-/m0/s1
SMILES c1ccc2c(c1)c1c([nH]2)[C@H]2N3[C@@H](C1)[C@@H]([C@@H](C2)/C(=C\C)/C3)C=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia yunnanensis Ref.
PlantaeApocynaceaeRauvolfia serpentina Ref.
PlantaeApocynaceaeRauvolfia verticillata Ref.
PlantaeApocynaceaeRauvolfia verticillata var.hainanensis Ref.
PlantaeApocynaceaeRauwolfia verticillata Ref.
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OrganismRauvolfia verticillata
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).

Chen, et al., APS, 20, (1985), 906.

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).

Buckingham(Executive Editor), Dictionary of Natural Products, Chapman & Hall, 1994, Vol1-7

1995, Vol8

1996, Vol9

1997, Vol10

1998, Vol11