input word = C00022747

Metabolite InformationStructural formula
Name 6alpha-Angeloyloxynidorellol
Formula C25H40O4
Mw 404.29265977
CAS RN 83725-28-4
C_ID C00022747 ,
InChIKey HAZCIIROBOIRCJ-LZNSTJBYNA-N
InChICode InChI=1S/C25H40O4/c1-9-16(3)12-13-18-24(7)15-11-14-23(5,6)20(24)19(21(26)25(18,8)28)29-22(27)17(4)10-2/h9-10,12,18-21,26,28H,1,11,13-15H2,2-8H3/b16-12+,17-10-/t18-,19-,20+,21+,24-,25+/m1/s1
SMILES C1CC([C@H]2[C@](C1)([C@H]([C@]([C@H]([C@@H]2OC(=O)/C(=C\C)/C)O)(C)O)C/C=C(\C)/C=C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStevia monardaefolia Ref.
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OrganismStevia monardaefolia
ReferenceQuijano,Phytochem.,21,(1982),1369