CHEBI:185104 - Lagerstroemine

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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 Lagerstroemine
ChEBI ID CHEBI:185104
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H31NO5
Net Charge 0
Average Mass 437.536
Monoisotopic Mass 437.22022
InChI InChI=1S/C26H31NO5/c1-30-23-10-8-19-21-15-18(14-17-5-3-4-12-27(17)21)32-24(29)11-7-16-6-9-22(28)20(13-16)25(19)26(23)31-2/h6,8-10,13,17-18,21,28H,3-5,7,11-12,14-15H2,1-2H3
InChIKey RYMSMTOEKVDTDB-UHFFFAOYSA-N
SMILES O1C2CC3N(C(C2)C4=C(C(OC)=C(OC)C=C4)C=5C=C(CCC1=O)C=CC5O)CCCC3
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing Lagerstroemine (CHEBI:185104) is a macrolide (CHEBI:25106)
IUPAC Name
9-hydroxy-5,6-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26)-hexaen-15-one
Manual Xrefs Databases
35013165 ChemSpider
HMDB0030229 HMDB
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