input word = C00017368

Metabolite InformationStructural formula
Name Petasalbin
Ligularol
6-Hydroxyfuranoeremophilane
Formula C15H22O2
Mw 234.16197995
CAS RN 4176-11-8
C_ID C00017368 ,
InChIKey ANKFPIBCTISOBX-WKYMDKQGNA-N
InChICode InChI=1S/C15H22O2/c1-9-8-17-12-7-11-6-4-5-10(2)15(11,3)14(16)13(9)12/h8,10-11,14,16H,4-7H2,1-3H3/t10-,11+,14+,15+/m0/s1
SMILES Cc1coc2c1[C@@H](O)[C@@]1(C)[C@H](CCC[C@@H]1C)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia fischeri Ref.
PlantaeAsteraceaeLigularia sibirica Ref.
PlantaeAsteraceaePetasites albus Ref.
PlantaeAsteraceaePetasites japonicus Ref.
PlantaeAsteraceaePetasites spurius Ref.
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OrganismLigularia sibirica
ReferenceIshii,Tetrahedron,21,(1965),2605

Naya,Tetrahedron Lett.,(1971),2961

Nagaro,Bull.Chem.Soc.Jpn.,46,(1973),4840

Bohlmann,Phytochem.,16,(1977),1769