input word = C00037979

Metabolite InformationStructural formula
Name Vaccaxanthone
Formula C16H12O8
Mw 332.05321736
CAS RN 125850-40-0
C_ID C00037979 ,
InChIKey XXSWIKUEZGNXHS-UHFFFAOYSA-N
InChICode InChI=1S/C16H12O8/c1-22-6-3-8(17)11-9(4-6)24-15-10(23-2)5-7(16(20)21)13(18)12(15)14(11)19/h3-5,17-18H,1-2H3,(H,20,21)
SMILES COc1cc(O)c2c(=O)c3c(O)c(C(=O)O)cc(OC)c3oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeSaponaria vaccaria Ref.
PlantaeCaryophyllaceaeVaccaria segetalis Ref.
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OrganismVaccaria segetalis
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)