input word = C00003278

Metabolite InformationStructural formula
Name Eupatoriopicrin
Formula C20H26O6
Mw 362.17293856
CAS RN 6856-01-5
C_ID C00003278 ,
InChIKey VWJYWGYJIDQUEG-QVAJDJLPNA-N
InChICode InChI=1S/C20H26O6/c1-12-5-4-6-13(2)10-17(26-20(24)15(11-22)7-8-21)18-14(3)19(23)25-16(18)9-12/h6-7,9,16-18,21-22H,3-5,8,10-11H2,1-2H3/b12-9+,13-6+,15-7+/t16-,17+,18-/m0/s1
SMILES C\1=C(/C[C@H]([C@@H]2[C@H](/C=C(/CC1)\C)OC(=O)C2=C)OC(=O)/C(=C/CO)/CO)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeChaenactis carphoclinia Ref.
PlantaeAsteraceaeChaenactis douglasii Ref.
PlantaeAsteraceaeEriophyllum staechadifolium Ref.
PlantaeAsteraceaeEupatorium cannabinum Ref.
PlantaeAsteraceaeEupatorium glehnii Ref.
PlantaeAsteraceaeEupatorium perfoliatum Ref.
PlantaeAsteraceaeEupatorium rugosum Ref.
PlantaeAsteraceaeStevia alpina var. glutinosa Ref.
PlantaeAsteraceaeStevia sarensis Ref.
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OrganismEupatorium cannabinum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51