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 C=C/C(C)=C/C[C@H]1[C@](C)(O)[C@@H](O)[C@H](OC(=O)/C(C)=CC)C2C(C)(C)CCC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStevia monardaefolia Ref.
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