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CHEBI:190893 - Gravacridonetriol glucoside

ChEBI IDCHEBI:190893
ChEBI NameGravacridonetriol glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H29NO11
Net Charge0
Average Mass519.503
Monoisotopic Mass519.17406
SMILESCn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C(O)(CO)COC1OC(CO)C(O)C(O)C1O)O3
WURCSWURCS=2.0/1,1,0/[axxxxh-1x_1-5_1*OCC^XC^XC(CCCCCCCCCC$11/12N$8/9CCC$7/20)O$5(/18)O(/17)C(/10)=O/4CO/4O]/1/
InChIInChI=1S/C25H29NO11/c1-26-13-5-3-2-4-11(13)20(30)18-14(29)7-15-12(19(18)26)6-17(36-15)25(34,9-28)10-35-24-23(33)22(32)21(31)16(8-27)37-24/h2-5,7,16-17,21-24,27-29,31-34H,6,8-10H2,1H3
InChIKeyBFVREXFWNFMMSF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Gravacridonetriol glucoside (CHEBI:190893) is a glycosylglycerol (CHEBI:24406)
IUPAC Name 
2-[1,2-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-5-hydroxy-11-methyl-1,2-dihydrouro[2,3-c]acridin-6-one
Manual XrefsDatabases
HMDB0029331HMDB
74886370ChemSpider