CHEBI:206253 - Ent-cycloechinulin

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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 Ent-cycloechinulin
ChEBI ID CHEBI:206253
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H21N3O3
Net Charge 0
Average Mass 351.406
Monoisotopic Mass 351.15829
InChI InChI=1S/C20H21N3O3/c1-11-19(25)23-8-7-20(2,3)17-14(10-16(23)18(24)21-11)13-6-5-12(26-4)9-15(13)22-17/h5-11,22H,1-4H3,(H,21,24)/b8-7-,16-10-/t11-/m1/s1
InChIKey RCTQPWJZZZLMBI-LEFKOGRASA-N
SMILES O=C1N[C@@H](C(=O)N2C1=CC=3C4=C(C=C(OC)C=C4)NC3C(C=C2)(C)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Ent-cycloechinulin (CHEBI:206253) has functional parent α-amino acid (CHEBI:33704)
Ent-cycloechinulin (CHEBI:206253) is a organonitrogen compound (CHEBI:35352)
Ent-cycloechinulin (CHEBI:206253) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(2Z,6R,9Z)-16-methoxy-6,11,11-trimethyl-5,8,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-1(12),2,9,14(19),15,17-hexaene-4,7-dione
Manual Xref Database
78441457 ChemSpider
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