input word = C00053483

Metabolite InformationStructural formula
Name FEMA 2752
Methyl pentanoate
Methyl valerate
Formula C6H12O2
Mw 116.08372963
CAS RN 624-24-8
C_ID C00053483
InChIKey HNBDRPTVWVGKBR-UHFFFAOYSA-N
InChICode InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
SMILES CCCCC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona muricata Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeNymphaeaceaeNymphaea garneriana Ref.
PlantaeSolanaceaeCapsicum frutescens Ref.
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OrganismCapsicum frutescens
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 482B

605C

1, 712A

1, 728C

1, 839C (ir)