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CHEBI:172704 - Dehydrocarpaine I

ChEBI IDCHEBI:172704
ChEBI NameDehydrocarpaine I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48N2O4
Net Charge0
Average Mass476.702
Monoisotopic Mass476.36141
SMILESCC1=NC2CCCCCCCC(=O)OC3CCC(CCCCCCCC(=O)OC1CC2)NC3C
InChIInChI=1S/C28H48N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21,23-26,29H,3-20H2,1-2H3
InChIKeyKGQYREIAHMZYSA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Dehydrocarpaine I (CHEBI:172704) is a macrolide (CHEBI:25106)
IUPAC Name 
13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacont-12-ene-3,16-dione
Manual XrefsDatabases
35013170ChemSpider
HMDB0030271HMDB