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CHEBI:169208 - Dehydrocarpaine II

ChEBI IDCHEBI:169208
ChEBI NameDehydrocarpaine II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46N2O4
Net Charge0
Average Mass474.686
Monoisotopic Mass474.34576
SMILESCC1=NC2CCCCCCCC(=O)OC3CCC(CCCCCCCC(=O)OC1CC2)N=C3C
InChIInChI=1S/C28H46N2O4/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/h23-26H,3-20H2,1-2H3
InChIKeyOEDAQCLCHGASNH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Dehydrocarpaine II (CHEBI:169208) is a macrolide (CHEBI:25106)
IUPAC Name 
13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triaconta-12,25-diene-3,16-dione
Manual XrefsDatabases
HMDB0030273HMDB
35013171ChemSpider