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CHEBI:189521 - Hemiphloin

ChEBI IDCHEBI:189521
ChEBI NameHemiphloin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILES[H][C@@]1(c2c(O)cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2)O3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H22O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-4,6,12,14,17,19-23,25-29H,5,7H2/t12-,14+,17+,19-,20+,21-/m0/s1
InChIKeyQKPKGDDHOGIEOO-JVVVWQBKSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
Hemiphloin (CHEBI:189521) is a C-glycosyl compound (CHEBI:20857)
Hemiphloin (CHEBI:189521) is a flavonoids (CHEBI:72544)
IUPAC Name 
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
Manual XrefsDatabases
LMPK12140223LIPID MAPS
24846342ChemSpider