input word = C00056356

Metabolite InformationStructural formula
Name 3,14-Dihydroxy-11,13-dihydrocostunolide
Formula C15H22O4
Mw 266.15180919
CAS RN 102518-83-2
C_ID C00056356
InChIKey KUERQAIAYCRGOB-DOGNWQSSSA-N
InChICode InChI=1S/C15H22O4/c1-9-7-14-12(10(2)15(18)19-14)5-3-11(8-16)4-6-13(9)17/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-7+,11-4-/t10-,12-,13-,14+/m0/s1
SMILES C/C1=C[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(CO)=C/C[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLactuca sativa Ref.
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OrganismLactuca sativa
ReferenceMahmoud, Z.F. et al., Phytochemistry, 1986, 25, 747-748 (3,14-Dihydroxy-11,13-dihydrocostunolide)