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CHEBI:180825 - Pavetannin C1

ChEBI IDCHEBI:180825
ChEBI NamePavetannin C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H48O24
Net Charge0
Average Mass1153.020
Monoisotopic Mass1152.25355
SMILESOc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc2c(c1O)C1c3c(cc(O)c4c3OC(c3ccc(O)c(O)c3)C(O)C4c3c(O)cc(O)c4c3OC(c3ccc(O)c(O)c3)C(O)C4)OC(c3ccc(O)c(O)c3)(O2)C1O
InChIInChI=1S/C60H48O24/c61-23-13-34(71)42-39(14-23)80-55(20-2-6-26(63)31(68)10-20)52(77)48(42)43-36(73)17-40-46(51(43)76)50-47-41(84-60(83-40,59(50)79)22-4-8-28(65)33(70)12-22)18-37(74)45-49(53(78)56(82-58(45)47)21-3-7-27(64)32(69)11-21)44-35(72)16-29(66)24-15-38(75)54(81-57(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2
InChIKeyVFVVDFLDUBZQGX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
Pavetannin C1 (CHEBI:180825) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
5,13-bis(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-7-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol
Manual XrefsDatabases
35014454ChemSpider
HMDB0037670HMDB