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CHEBI:191829 - Pavetannin A2

ChEBI IDCHEBI:191829
ChEBI NamePavetannin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H24O12
Net Charge0
Average Mass576.510
Monoisotopic Mass576.12678
SMILES[H][C@]12c3c(O)cc(O)cc3O[C@](c3ccc(O)c(O)c3)(Oc3cc(O)c4c(c31)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C4)[C@H]2O
InChIInChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27+,29-,30+/m0/s1
InChIKeyNSEWTSAADLNHNH-VCFSXNJSSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Pavetannin A2 (CHEBI:191829) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
(1S,5R,6S,13R,21S)-5,13-bis(3,4-dihydroxyphenyl)-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
HMDB0038716HMDB
8591200ChemSpider