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CHEBI:169444 - Gravacridonetriol

ChEBI IDCHEBI:169444
ChEBI NameGravacridonetriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19NO6
Net Charge0
Average Mass357.362
Monoisotopic Mass357.12124
SMILESCn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C(O)(CO)CO)O3
InChIInChI=1S/C19H19NO6/c1-20-12-5-3-2-4-10(12)18(24)16-13(23)7-14-11(17(16)20)6-15(26-14)19(25,8-21)9-22/h2-5,7,15,21-23,25H,6,8-9H2,1H3
InChIKeyGJDBWKOONRHBIM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Gravacridonetriol (CHEBI:169444) has functional parent acridone (CHEBI:50756)
Gravacridonetriol (CHEBI:169444) is a acridines (CHEBI:22213)
IUPAC Name 
5-hydroxy-11-methyl-2-(1,2,3-trihydroxypropan-2-yl)-1,2-dihydrouro[2,3-c]acridin-6-one
Manual XrefsDatabases
HMDB0029330HMDB
10202285ChemSpider