input word = C00003805

Metabolite InformationStructural formula
Name Negletein
Formula C16H12O5
Mw 284.06847349
CAS RN 29550-13-8
C_ID C00003805 ,
InChIKey ZTHLHHDJRXJGRX-UHFFFAOYSA-N
InChICode InChI=1S/C16H12O5/c1-20-13-8-12-14(16(19)15(13)18)10(17)7-11(21-12)9-5-3-2-4-6-9/h2-8,18-19H,1H3
SMILES COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeDesmos chinensis Ref.
PlantaeAsteraceaeCentaurea clementei Ref.
PlantaeLabiataeOriganum dictamnus Ref.
PlantaeLabiataeOriganum majoricum Ref.
PlantaeLabiataeStachys neglecta Ref.
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OrganismDesmos chinensis
ReferenceWu,Chin.Tradit.Herb.Drugs,31,(2000),567