input word = C00020895

Metabolite InformationStructural formula
Name Calocephalin acetate
Formula C17H22O5
Mw 306.14672381
CAS RN 4955-25-3
C_ID C00020895 ,
InChIKey NHFIMEDITZLSNZ-UHFFFAOYNA-N
InChICode InChI=1S/C17H22O5/c1-8-5-12-11(9(2)15(19)20-12)6-13-16(4)14(22-16)7-17(8,13)21-10(3)18/h8,11-14H,2,5-7H2,1,3-4H3/t8-,11+,12-,13+,14+,16-,17+/m0/s1
SMILES C=C1C(=O)OC2CC(C)C3(OC(C)=O)CC4OC4(C)C3CC12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalocephalus brownii Ref.
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OrganismCalocephalus brownii
ReferenceBatterham,Aust. J. Chem.,19,(1966),143