input word = C00022660

Metabolite InformationStructural formula
Name 4alpha-Hydroxy-1alpha,5alphaH-guaia-2,10(14),11(13)-trien-12,6alpha-olide
Formula C15H18O3
Mw 246.12559444
CAS RN 145051-95-2
C_ID C00022660 ,
InChIKey ZVLOTIBMQHGIML-XOTRIRMANA-N
InChICode InChI=1S/C15H18O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h6-7,10-13,17H,1-2,4-5H2,3H3/t10-,11?,12+,13+,15+/m1/s1
SMILES [C@H]12[C@@H]([C@@H]3[C@@H](CCC1=C)C(=C)C(=O)O3)[C@@](C=C2)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEriocephalus kingesii Ref.
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OrganismEriocephalus kingesii
ReferenceZdero,Phytochem.,26,(1987),2763