input word = C00003232

Metabolite InformationStructural formula
Name (+)-Cnicin
Cnicin
Formula C20H26O7
Mw 378.16785319
CAS RN 24394-09-0
C_ID C00003232 ,
InChIKey ZTDFZLVUIVPZDU-JDWVENNGNA-N
InChICode InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16+,17+,18-/m1/s1
SMILES C\1=C(/C[C@@H]([C@@H]2[C@H](/C=C(/CC1)\CO)OC(=O)C2=C)OC(=O)C(=C)[C@H](O)CO)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea squarrosa Ref.
PlantaeAsteraceaeCentaurea thessala ssp.attica Ref.
PlantaeAsteraceaeCnicus benedictus Ref.
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OrganismCnicus benedictus
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51