input word = C00022498

Metabolite InformationStructural formula
Name Methyl ent-16-acetoxy-8beta-formyl-8-desmethyl-6,13E-labdadien-15-oate
Formula C23H34O6
Mw 406.23553882
CAS RN 88862-18-4
C_ID C00022498 ,
InChIKey JQUOFEBUGGKARK-GIXBOYMMNA-N
InChICode InChI=1S/C23H34O6/c1-16(25)28-14-17(13-21(26)27-5)7-8-18-19(29-15-24)9-10-20-22(2,3)11-6-12-23(18,20)4/h9-10,13,15,18-20H,6-8,11-12,14H2,1-5H3/b17-13+/t18-,19+,20-,23-/m1/s1
SMILES C1CC([C@@H]2[C@](C1)([C@@H]([C@H](C=C2)OC=O)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