input word = C00035817

Metabolite InformationStructural formula
Name Calealactone C
Formula C21H26O8
Mw 406.16276781
CAS RN 499099-53-5
C_ID C00035817 ,
InChIKey FCYRUIVZYHKCPI-JBCLZUDANA-N
InChICode InChI=1S/C21H26O8/c1-10(2)19(24)29-17-16-12(4)20(25)28-14(16)9-11(3)7-8-15(23)21(6,26)18(17)27-13(5)22/h7,14,16-18,26H,1,4,8-9H2,2-3,5-6H3/b11-7+/t14-,16-,17+,18-,21+/m1/s1
SMILES C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C/C(C)=C/CC(=O)[C@](C)(O)[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea urticifolia Ref.
zoom in



OrganismCalea urticifolia
ReferenceYamada,Phytochem.,65,(2004),3107