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CHEBI:168263 - 2,3,4,7,8,9,15,22,23,28,33-undecahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3??,??.0?,??.0?,??.0??,??.0??,??.0??,??]pentatriaconta-1,3,5(30),6,8,10,19(24),20,22-nonaene-12,27,31,34-tetrone

ChEBI IDCHEBI:168263
ChEBI Name2,3,4,7,8,9,15,22,23,28,33-undecahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3??,??.0?,??.0?,??.0??,??.0??,??.0??,??]pentatriaconta-1,3,5(30),6,8,10,19(24),20,22-nonaene-12,27,31,34-tetrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H24O20
Net Charge0
Average Mass728.524
Monoisotopic Mass728.08609
SMILESO=C1OC(CO)C(O)C2OC(=O)c3c(c(O)c(O)c(O)c3C3C(O)C(=O)C45Oc6c(ccc(O)c6O)C4C2OC(=O)C35O)-c2c1cc(O)c(O)c2O
InChIInChI=1S/C32H24O20/c33-4-9-18(38)26-25-14-5-1-2-7(34)17(37)24(5)52-32(14)27(44)22(42)15(31(32,48)30(47)51-25)13-12(29(46)50-26)11(20(40)23(43)21(13)41)10-6(28(45)49-9)3-8(35)16(36)19(10)39/h1-3,9,14-15,18,22,25-26,33-43,48H,4H2
InChIKeyVZXYUZYVJJYUMH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
2,3,4,7,8,9,15,22,23,28,33-undecahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3??,??.0?,??.0?,??.0??,??.0??,??.0??,??]pentatriaconta-1,3,5(30),6,8,10,19(24),20,22-nonaene-12,27,31,34-tetrone (CHEBI:168263) is a tannin (CHEBI:26848)
IUPAC Name 
2,3,4,7,8,9,15,22,23,28,33-undecahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.317,26.05,30.06,11.018,26.019,24.029,33]pentatriaconta-1,3,5(30),6,8,10,19(24),20,22-nonaene-12,27,31,34-tetrone
Manual XrefsDatabases
HMDB0134701HMDB
74886808ChemSpider