CHEBI:172851 - Heterophylliin E

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ChEBI Name Heterophylliin E
ChEBI ID CHEBI:172851
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H28O25
Net Charge 0
Average Mass 908.639
Monoisotopic Mass 908.09197
InChI InChI=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
InChIKey AQPVGKAQOQGNBT-UHFFFAOYSA-N
SMILES O1C2C(OC(=O)C=3C(C=4C(C(OC2)=O)=CC(O)=C(O)C4O)=C(O)C(O)=C(O)C3)C(OC(=O)C5C6=C(OC(=O)C=7C6=C(O)C(O)=C(O)C7)C(=O)C5)C(O)C1OC(=O)C8=CC(O)=C(O)C(O)=C8
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
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ChEBI Ontology
Outgoing 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 Xref Database
HMDB0039268 HMDB
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