input word = C00047855

Metabolite InformationStructural formula
Name ent-15-oxokaur-16-en-18-oic acid
Formula C21H28O3
Mw 328.20384476
CAS RN 71493-37-3
C_ID C00047855 ,
InChIKey WQBNGXOJBVBQKP-NZRUNYHXNA-N
InChICode InChI=1S/C20H28O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-15H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,15+,18-,19+,20-/m1/s1
SMILES C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton argyrophylloides Ref.
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