input word = C00051222

Metabolite InformationStructural formula
Name Laxogenin
Formula C27H42O4
Mw 430.30830983
CAS RN 1177-71-5
C_ID C00051222
InChIKey WOJKRRDDERNLBU-LIDGHWLENA-N
InChICode InChI=1S/C27H42O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-21,23-24,28H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,23+,24+,25-,26+,27-/m1/s1
SMILES C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium chinense Ref.
PlantaeSmilacaceaeSmilax sieboldii Ref.
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OrganismAllium chinense
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).

Sun, et al., Chinese Traditional and Herbal Drugs(Zhongcaoyao), 33, (2002), 276