input word = C00020106

Metabolite InformationStructural formula
Name [1S-[1alpha,2beta(Z),8aalpha]]-1,2,3,5,6,8a-Hexahydro-4,7-dimethyl-1-(1-methylethyl)-6-oxo-2-naphthalenyl ester 2-methyl-2-butenoic acid
Formula C20H28O3
Mw 316.20384476
CAS RN 73484-10-3
C_ID C00020106 ,
InChIKey KSNCJWJBHSJBQD-AVMLHRMVNA-N
InChICode InChI=1S/C20H28O3/c1-7-12(4)20(22)23-18-9-13(5)15-10-17(21)14(6)8-16(15)19(18)11(2)3/h7-8,11,16,18-19H,9-10H2,1-6H3/b12-7-/t16-,18+,19+/m1/s1
SMILES [C@@H]1(CC(=C2[C@H]([C@@H]1C(C)C)C=C(C(=O)C2)C)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHeterotheca grandiflora Ref.
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OrganismHeterotheca grandiflora
ReferenceBohlmann,Phytochem.,18,(1979),1675

Bohlmann,Phytochem.,25,(1986),1474