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CHEBI:172851 - Heterophylliin E

ChEBI IDCHEBI:172851
ChEBI NameHeterophylliin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H28O25
Net Charge0
Average Mass908.639
Monoisotopic Mass908.09197
SMILESO=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C(OC(=O)C2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)C1O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C40H28O25/c41-13-1-8(2-14(42)24(13)47)35(55)65-40-31(54)34(64-39(59)12-6-18(46)32-23(12)22-11(37(57)62-32)5-17(45)27(50)30(22)53)33-19(61-40)7-60-36(56)9-3-15(43)25(48)28(51)20(9)21-10(38(58)63-33)4-16(44)26(49)29(21)52/h1-5,12,19,31,33-34,40-45,47-54H,6-7H2
InChIKeyAQPVGKAQOQGNBT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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)
Heterophylliin E (CHEBI:172851) is a tannin (CHEBI:26848)
IUPAC Name 
[3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-13-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate
Manual XrefsDatabases
HMDB0039268HMDB