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CHEBI:169497 - 5-(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-13-(4-hydroxy-3-methoxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0?,??.0?,?.0??,??]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol

ChEBI IDCHEBI:169497
ChEBI Name5-(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-13-(4-hydroxy-3-methoxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0?,??.0?,?.0??,??]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H38O18
Net Charge0
Average Mass878.792
Monoisotopic Mass878.20581
SMILESCOc1cc(C2Oc3c(c(O)cc4c3C3c5c(cc(O)c(C6c7c(O)cc(O)cc7OC(c7ccc(O)c(O)c7)C6O)c5O)OC(c5ccc(O)c(O)c5)(O4)C3O)CC2O)ccc1O
InChIInChI=1S/C46H38O18/c1-60-30-9-17(3-6-23(30)50)42-29(56)13-20-24(51)14-33-37(44(20)62-42)39-36-32(63-46(64-33,45(39)59)18-4-7-22(49)26(53)10-18)15-28(55)35(40(36)57)38-34-27(54)11-19(47)12-31(34)61-43(41(38)58)16-2-5-21(48)25(52)8-16/h2-12,14-15,29,38-39,41-43,45,47-59H,13H2,1H3
InChIKeyYXZMIRXGDKOLGU-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)
5-(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-13-(4-hydroxy-3-methoxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0?,??.0?,?.0??,??]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol (CHEBI:169497) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
13-(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-5-(4-hydroxy-3-methoxyphenyl)-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
HMDB0125929HMDB