input word = C00022500

Metabolite InformationStructural formula
Name Methyl ent-16-hydroxy-6,8(17),13E-labdatrien-15-oate
Formula C21H32O3
Mw 332.23514489
CAS RN 88862-12-8
C_ID C00022500 ,
InChIKey NYSANASQZRWHDH-WEMJEATNNA-N
InChICode InChI=1S/C21H32O3/c1-15-7-10-18-20(2,3)11-6-12-21(18,4)17(15)9-8-16(14-22)13-19(23)24-5/h7,10,13,17-18,22H,1,6,8-9,11-12,14H2,2-5H3/b16-13+/t17-,18-,21+/m1/s1
SMILES C1CC([C@@H]2[C@@](C1)([C@@H](C(=C)C=C2)CC/C(=C\C(=O)OC)/CO)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcritopappus confertus Ref.
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