input word = C00037544

Metabolite InformationStructural formula
Name Neocrotocembraneic acid
Formula C20H30O2
Mw 302.2245802
CAS RN 205577-56-6
C_ID C00037544 ,
InChIKey PJVZQWKLUCVIQA-UTPOLXMRSA-N
InChICode InChI=1S/C20H30O2/c1-15(2)18-12-11-17(4)8-5-7-16(3)9-6-10-19(14-13-18)20(21)22/h7,10-12,15H,5-6,8-9,13-14H2,1-4H3,(H,21,22)/b16-7+,17-11+,18-12+,19-10+
SMILES C\1=C(\CC/C(=C\C=C(\CC/C=C(/CC1)\C)/C)/C(C)C)/C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton oblongiflius Ref.
PlantaeEuphorbiaceaeCroton oblongifolius Ref.
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OrganismCroton oblongifolius
ReferenceRoengsumran,Phytochem.,56,(2001),103