input word = C00001217

Metabolite InformationStructural formula
Name Erucic acid
cis-13-Docosenoic acid
Formula C22H42O2
Mw 338.31848058
CAS RN 112-86-7
C_ID C00001217 ,
InChIKey DPUOLQHDNGRHBS-KTKRTIGZSA-N
InChICode InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-
SMILES C(=O)(O)CCCCCCCCCCC/C=C\CCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum calaba Ref.
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum inophyllum Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeDioscoreaceaeDioscorea alata Ref.
PlantaeLabiataeThymus capitatus Ref.
PlantaeLuzuriagaceaeLuzuriaga parviflora Ref.
PlantaeMyrtaceaeMyrtus communis Ref.
PlantaeTropaeolaceaeTropaeolum majus Ref.
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OrganismTropaeolum majus
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter6