input word = C00037543

Metabolite InformationStructural formula
Name Neocrotocembranal
Formula C20H30O
Mw 286.22966558
CAS RN 244211-78-7
C_ID C00037543 ,
InChIKey SQMACIRXDFOOLF-SKTYWBPTSA-N
InChICode InChI=1S/C20H30O/c1-16(2)20-13-11-18(4)8-5-7-17(3)9-6-10-19(15-21)12-14-20/h7,10-11,13,15-16H,5-6,8-9,12,14H2,1-4H3/b17-7+,18-11+,19-10+,20-13+
SMILES C\1=C(\CC/C(=C\C=C(\CC/C=C(/CC1)\C)/C)/C(C)C)/C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton oblongifolius Ref.
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OrganismCroton oblongifolius
ReferenceRoengsumran,Phytochem.,56,(2001),103