|
gptkbp:instanceOf
|
gptkb:chemical_compound
|
|
gptkbp:aroma
|
gptkb:sugar
|
|
gptkbp:boilingPoint
|
298°C
|
|
gptkbp:CASNumber
|
91-64-5
|
|
gptkbp:color
|
colorless
|
|
gptkbp:contains
|
lactone ring
|
|
gptkbp:discoveredBy
|
gptkb:August_Vogel
|
|
gptkbp:drugClass
|
gptkb:anticoagulant
antioxidant
anti-inflammatory
antimicrobial
|
|
gptkbp:firstIsolatedFrom
|
tonka bean
|
|
gptkbp:foundIn
|
plants
|
|
gptkbp:hasEINECSNumber
|
202-096-2
|
|
gptkbp:hasInChIKey
|
ZRDHQIWQOIEBTB-UHFFFAOYSA-N
|
|
gptkbp:hasMolecularFormula
|
C9H6O2
|
|
gptkbp:hasSMILES
|
O=C1C=CC2=CC=CC=C2O1
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
coumarins
|
|
gptkbp:isSolubleIn
|
gptkb:water
gptkb:chloroform
ethanol
|
|
gptkbp:IUPACName
|
gptkb:2H-chromen-2-one
|
|
gptkbp:meltingPoint
|
68°C
|
|
gptkbp:notableDerivative
|
gptkb:warfarin
gptkb:dicoumarol
|
|
gptkbp:prohibits
|
food products in the US
|
|
gptkbp:PubChem_CID
|
323
CHEBI:17604
|
|
gptkbp:regulates
|
gptkb:FDA
|
|
gptkbp:structure
|
benzene ring fused to α-pyrone ring
|
|
gptkbp:subclassOf
|
gptkb:benzopyrones
|
|
gptkbp:toxicity
|
liver
|
|
gptkbp:usedAs
|
gptkb:anticoagulant
flavoring agent
|
|
gptkbp:usedIn
|
gptkb:perfume_industry
agriculture
pharmaceuticals
|
|
gptkbp:bfsParent
|
gptkb:chromones
gptkb:S-warfarin
gptkb:Clausena_excavata
|
|
gptkbp:bfsLayer
|
6
|