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CHEBI:182370 - methyl (1S,12S,13E)-13-ethylidene-18-(hydroxymethyl)-4-methoxy-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2(7),3,5,8-tetraene-18-carboxylate

ChEBI IDCHEBI:182370
ChEBI Namemethyl (1S,12S,13E)-13-ethylidene-18-(hydroxymethyl)-4-methoxy-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2(7),3,5,8-tetraene-18-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26N2O4
Net Charge0
Average Mass382.460
Monoisotopic Mass382.18926
SMILES[H][C@]12CC3C4=Nc5ccc(OC)cc5[C@@]4(CCN3C/C1=C/C)C2(CO)C(=O)OC
InChIInChI=1S/C22H26N2O4/c1-4-13-11-24-8-7-21-16-9-14(27-2)5-6-17(16)23-19(21)18(24)10-15(13)22(21,12-25)20(26)28-3/h4-6,9,15,18,25H,7-8,10-12H2,1-3H3/b13-4-/t15-,18?,21+,22?/m0/s1
InChIKeyJBFBTBFJYNNYPW-ZXWRBSQSSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
methyl (1S,12S,13E)-13-ethylidene-18-(hydroxymethyl)-4-methoxy-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2(7),3,5,8-tetraene-18-carboxylate (CHEBI:182370) is a alkaloid (CHEBI:22315)
IUPAC Name 
methyl (1S,12S,13E)-13-ethylidene-18-(hydroxymethyl)-4-methoxy-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2(7),3,5,8-tetraene-18-carboxylate
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31014611ChemSpider