input word = C00037262

Metabolite InformationStructural formula
Name Heraclenol
Formula C16H16O6
Mw 304.09468824
CAS RN 31575-93-6
C_ID C00037262 ,
InChIKey FOINLJRVEBYARJ-LDGXTIHJNA-N
InChICode InChI=1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3/t11-/m1/s1
SMILES c12c(cc3c(c1OC[C@H](C(O)(C)C)O)occ3)ccc(=O)o2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica ursina Maxim Ref.
PlantaeApiaceaeFerula sumbul Ref.
PlantaeApiaceaeHeracleum granatense Ref.
PlantaeApiaceaePrangos pabularia Ref.
--Cymopterus watsonii Ref.
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OrganismHeracleum granatense
ReferenceKutney,Tetrahedron,28,(1972),5091

Gonzalez,An.Quim.,73,(1977),858