input word = C00050606

Metabolite InformationStructural formula
Name (-)-Methyl kaur-16-en-19-oate
Formula C21H32O2
Mw 316.24023027
CAS RN 41473-15-8
C_ID C00050606
InChIKey DWTRNJFPDXIFSY-QXYGHTPYNA-N
InChICode InChI=1S/C21H32O2/c1-14-12-21-11-8-16-19(2,17(21)7-6-15(14)13-21)9-5-10-20(16,3)18(22)23-4/h15-17H,1,5-13H2,2-4H3/t15-,16+,17+,19-,20-,21-/m1/s1
SMILES C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@@H]1C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton oblongifolius Ref.
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OrganismCroton oblongifolius
ReferenceNgamrojnavanich, et al., Planta Med, 69, (2003), 555