input word = C00031247

Metabolite InformationStructural formula
Name Rubiawallin C
Formula C16H10O5
Mw 282.05282343
CAS RN 332102-66-6
C_ID C00031247 ,
InChIKey BJKGQODYLJQOBA-UHFFFAOYSA-N
InChICode InChI=1S/C16H10O5/c1-21-16(20)11-7-6-10-12(15(11)19)14(18)9-5-3-2-4-8(9)13(10)17/h2-7,19H,1H3
SMILES c12c(C(=O)c3c(C1=O)ccc(c3O)C(=O)OC)cccc2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia wallichiana DECNE Ref.
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OrganismRubia wallichiana DECNE
ReferenceWu,Chem.Pharm.Bull.,51,(2003),948