input word = C00022507

Metabolite InformationStructural formula
Name Methyl ent-16-acetoxy-6beta-hydroxy-17-oxo-7,13E-labdadien-15-oate
Formula C23H34O6
Mw 406.23553882
CAS RN 88904-18-1
C_ID C00022507 ,
InChIKey JBYWUCWGYTVZKN-AZUYNACUNA-N
InChICode InChI=1S/C23H34O6/c1-15(25)29-14-16(11-20(27)28-5)7-8-18-17(13-24)12-19(26)21-22(2,3)9-6-10-23(18,21)4/h11-13,18-19,21,26H,6-10,14H2,1-5H3/b16-11+/t18-,19+,21-,23+/m1/s1
SMILES C1CC([C@@H]2[C@@](C1)([C@@H](C(=C[C@@H]2O)C=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