CHEBI:184058 - Isohernandezine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Isohernandezine
ChEBI ID CHEBI:184058
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H44N2O7
Net Charge 0
Average Mass 652.788
Monoisotopic Mass 652.31485
InChI InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3
InChIKey FUZMQNZACIFDBL-UHFFFAOYSA-N
SMILES O1C=2C=3C(N(CCC3C(OC)=C(OC)C2OC)C)CC4=CC(OC5=CC=C(CC6N(CCC=7C6=CC1=C(OC)C7)C)C=C5)=C(OC)C=C4
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). 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 Isohernandezine (CHEBI:184058) is a tannin (CHEBI:26848)
IUPAC Name
9,19,20,21,25-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-dodecaene
Manual Xref Database
272592 ChemSpider
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