input word = C00022659

Metabolite InformationStructural formula
Name 4alpha,10alpha-Hydroxy-8-acetoxy-1alpha,5alpha,11betaH-guaia-2-en-12,6alpha-olide
Formula C17H24O6
Mw 324.1572885
CAS RN 112823-77-5
C_ID C00022659 ,
InChIKey HPDSXPOBOUWZIN-OCTSMAKDNA-N
InChICode InChI=1S/C17H24O6/c1-8-12-11(22-9(2)18)7-17(4,21)10-5-6-16(3,20)13(10)14(12)23-15(8)19/h5-6,8,10-14,20-21H,7H2,1-4H3/t8-,10+,11-,12+,13-,14-,16+,17?/m0/s1
SMILES CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2C=C[C@@](C)(O)C2[C@H]2OC(=O)[C@@H](C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEriocephalus giessii Ref.
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OrganismEriocephalus giessii
ReferenceZdero,Phytochem.,26,(1987),2763