input word = C00051552

Metabolite InformationStructural formula
Name Methyl caprylate
Methyl octanoate
Formula C9H18O2
Mw 158.13067982
CAS RN 111-11-5
C_ID C00051552
InChIKey JGHZJRVDZXSNKQ-UHFFFAOYSA-N
InChICode InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
SMILES CCCCCCCC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeAnnonaceaeAnnona glabra Ref.
PlantaeApiaceaeApium graveolens Ref.
PlantaeCampanulaceae/LobeliaceaeCodonopsis pilosula Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeNymphaeaceaeNymphaea rudgeana Ref.
PlantaeOxalidaceaeAverrhoa carambola Ref.
PlantaeRutaceaeCitrus sinensis Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
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OrganismCodonopsis pilosula
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993)