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CHEBI:169420 - (2S,2''S,3S,3''R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,4',5,7-tetrahydroxyflavan

ChEBI IDCHEBI:169420
ChEBI Name(2S,2''S,3S,3''R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,4',5,7-tetrahydroxyflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H24O10
Net Charge0
Average Mass544.512
Monoisotopic Mass544.13695
SMILESOc1ccc(C2Oc3c(c(O)cc4c3C3c5c(O)cc(O)cc5OC(c5ccc(O)cc5)(O4)C3O)CC2O)cc1
InChIInChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2
InChIKeyLQRHGTVFFPMWCG-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)
(2S,2''S,3S,3''R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,4',5,7-tetrahydroxyflavan (CHEBI:169420) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
Manual XrefsDatabases
3240798ChemSpider
HMDB0033422HMDB