EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:178127 - 3,3',4',5,7-Pentahydroxyflavan(4->8)-3,4',5,7-tetrahydroxyflavan

ChEBI IDCHEBI:178127
ChEBI Name3,3',4',5,7-Pentahydroxyflavan(4->8)-3,4',5,7-tetrahydroxyflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O11
Net Charge0
Average Mass562.527
Monoisotopic Mass562.14751
SMILESOc1ccc(C2Oc3c(c(O)cc(O)c3C3c4c(O)cc(O)cc4OC(c4ccc(O)c(O)c4)C3O)CC2O)cc1
InChIInChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)28-22(38)10-16-18(34)11-21(37)25(30(16)41-28)26-24-20(36)8-15(32)9-23(24)40-29(27(26)39)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2
InChIKeyMTCFYYIJIXJCPF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
ChEBI Ontology
Outgoing Relation(s)
3,3',4',5,7-Pentahydroxyflavan(4->8)-3,4',5,7-tetrahydroxyflavan (CHEBI:178127) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Manual XrefsDatabases
35014449ChemSpider
HMDB0037662HMDB