input word = C00010274

Metabolite InformationStructural formula
Name Hispidulin 7,4'-disulfate
Formula C16H12O12S2
Mw 459.97701731
CAS RN 111509-38-7
C_ID C00010274 ,
InChIKey KSFQKQXOBCTINQ-UHFFFAOYSA-N
InChICode InChI=1S/C16H12O12S2/c1-25-16-13(28-30(22,23)24)7-12-14(15(16)18)10(17)6-11(26-12)8-2-4-9(5-3-8)27-29(19,20)21/h2-7,18H,1H3,(H,19,20,21)(H,22,23,24)
SMILES COc1c(OS(=O)(=O)O)cc2oc(-c3ccc(OS(=O)(=O)O)cc3)cc(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeLippia canescens Ref.
PlantaeVerbenaceaeLippia nodiflora Ref.
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OrganismLippia nodiflora
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 3.Flavone O-glycosides,Tomas-Barberan,F.A.,Phytochem.,26,(1987),2281