input word = C00050962

Metabolite InformationStructural formula
Name Isonarthogenin
Formula C27H42O4
Mw 430.30830983
CAS RN 7050-40-0
C_ID C00050962
InChIKey NZQMLFKQRZBSPM-DXFWFTJMNA-N
InChICode InChI=1S/C27H42O4/c1-16-24-23(31-27(16)11-6-17(14-28)15-30-27)13-22-20-5-4-18-12-19(29)7-9-25(18,2)21(20)8-10-26(22,24)3/h4,16-17,19-24,28-29H,5-15H2,1-3H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](CO)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea collettii Ref.
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OrganismDioscorea collettii
ReferenceChen, et al., Chapter 25, RAW MATERIAL PLANTS OF STEROIDS DRUGS, in Modern Studies of Chinese Herbal Medicine, edited by Institute of Materia Medica, Chinese Academy of Medical Sciences, Vol.2, 226-254, Union Press of Beijing Medical University and Peking Union Medical College, Beijing, (1996)