input word = C00002444

Metabolite InformationStructural formula
Name Quinquangulin
Formula C16H14O5
Mw 286.08412356
CAS RN 64894-58-2
C_ID C00002444 ,
InChIKey PMPFXXWLTIMSFY-UHFFFAOYSA-N
InChICode InChI=1S/C16H14O5/c1-7-4-10(17)14-12(21-7)6-9-5-11(20-3)8(2)15(18)13(9)16(14)19/h4-6,18-19H,1-3H3
SMILES c12c(c(c(c(c1)OC)C)O)c(c1c(c2)oc(cc1=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia quinquangula Ref.
PlantaeFabaceaeCassia quinquangulata Ref.
PlantaeFabaceaeSenna obliqua Ref.
PlantaeFabaceaeSenna quinquangulata Ref.
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OrganismCassia quinquangula
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)