input word = C00053489

Metabolite InformationStructural formula
Name millepurpan
Formula C18H20O6
Mw 332.12598837
CAS RN 286462-36-0
C_ID C00053489
InChIKey AVPMNLQGZOHBIJ-UHFFFAOYSA-N
InChICode InChI=1S/C18H20O6/c1-21-15-8-13(16(20)18(23-3)17(15)22-2)11-6-10-4-5-12(19)7-14(10)24-9-11/h4-5,7-8,11,19-20H,6,9H2,1-3H3
SMILES COc1cc(C2COc3cc(O)ccc3C2)c(O)c(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
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OrganismMedicago sativa
ReferenceRafinska, K., et al., Phytochem. Lett., 20, (2017), 520-539.