input word = C00057230

Metabolite InformationStructural formula
Name Porric acid A
Formula C16H14O6
Mw 302.07903818
CAS RN 207285-00-5
C_ID C00057230
InChIKey SXRYQQFROYXBDQ-UHFFFAOYSA-N
InChICode InChI=1S/C16H14O6/c1-7-4-11(21-3)13(17)15-12(7)9-5-8(20-2)6-10(16(18)19)14(9)22-15/h4-6,17H,1-3H3,(H,18,19)
SMILES O=C(O)C1=C2C(C(C(C)=CC(OC)=C3O)=C3O2)=CC(OC)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium porrum Ref.
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OrganismAllium porrum
ReferenceCarotenuto, A. et al., Eur. J. Org. Chem., 1998, 661-663 (isol, uv, pmr, cmr)