input word = C00040789

Metabolite InformationStructural formula
Name 1-Monolinolein
2,3-Dihydroxypropyl linoleate
1-O-(9Z,12Z-Octadecadienoyl)glycerol
Formula C21H38O4
Mw 354.2770097
CAS RN 2277-28-3
C_ID C00040789 ,
InChIKey WECGLUPZRHILCT-HZJYTTRNNA-N
InChICode InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1
SMILES OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica dahurica Ref.
PlantaeAraliaceaePanax ginseng Ref.
PlantaeFabaceaeBauhinia purpurea L. Ref.
PlantaeSolanaceaeHyoscyamus niger Ref.
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OrganismAngelica dahurica
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993)