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CHEBI:229157 - Lythrancine I

ChEBI IDCHEBI:229157
ChEBI NameLythrancine I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H35NO5
Net Charge0
Average Mass453.579
Monoisotopic Mass453.25152
SMILESCOc1ccc2cc1-c1cc(ccc1OC)C1CC(O)C(O)C3CCCC(CC(O)CC2)N13
InChIInChI=1S/C27H35NO5/c1-32-25-10-7-16-6-9-19(29)14-18-4-3-5-22-27(31)24(30)15-23(28(18)22)17-8-11-26(33-2)21(13-17)20(25)12-16/h7-8,10-13,18-19,22-24,27,29-31H,3-6,9,14-15H2,1-2H3
InChIKeyNHAMBFHTELHJSW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Lythrancine I (CHEBI:229157) is a quinolizidines (CHEBI:26516)
IUPAC Name 
5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaene-14,21,22-triol
Manual XrefsDatabases
4477519ChemSpider