input word = C00022497

Metabolite InformationStructural formula
Name Methyl ent-16-acetoxy-17-oxo-6,13E-labdadien-15-oate
Formula C23H34O5
Mw 390.2406242
CAS RN 88862-17-3
C_ID C00022497 ,
InChIKey XBKXMAGXISUQHP-PAGZNHQQNA-N
InChICode InChI=1S/C23H34O5/c1-16(25)28-15-17(13-21(26)27-5)7-9-19-18(14-24)8-10-20-22(2,3)11-6-12-23(19,20)4/h8,10,13-14,18-20H,6-7,9,11-12,15H2,1-5H3/b17-13+/t18-,19-,20-,23+/m1/s1
SMILES C1CC([C@@H]2[C@@](C1)([C@@H]([C@H](C=C2)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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