input word = C00022499

Metabolite InformationStructural formula
Name Methyl ent-16-acetoxy-6,13E-labdadien-15,17-dioate
Formula C24H36O6
Mw 420.25118888
CAS RN
C_ID C00022499 ,
InChIKey RMNXDJMOHAWPAV-UVIGBFIMNA-N
InChICode InChI=1S/C24H36O6/c1-16(25)30-15-17(14-21(26)28-5)8-10-19-18(22(27)29-6)9-11-20-23(2,3)12-7-13-24(19,20)4/h9,11,14,18-20H,7-8,10,12-13,15H2,1-6H3/b17-14+/t18-,19+,20+,24-/m0/s1
SMILES C1CC([C@@H]2[C@@](C1)([C@@H]([C@H](C=C2)C(=O)OC)CC/C(=C\C(=O)OC)/COC(=O)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcritopappus confertus Ref.
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OrganismAcritopappus confertus
ReferenceBohlmann,Phytochem.,22,(1983),2243