CHEBI:208784 - Protuboxepin C

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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 Protuboxepin C
ChEBI ID CHEBI:208784
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H25N3O4
Net Charge 0
Average Mass 407.470
Monoisotopic Mass 407.18451
InChI InChI=1S/C23H25N3O4/c1-4-15(2)23(29-3)22-24-20-17(12-8-9-13-30-20)21(28)26(22)18(19(27)25-23)14-16-10-6-5-7-11-16/h5-13,15,18H,4,14H2,1-3H3,(H,25,27)/t15-,18+,23+/m0/s1
InChIKey UNKBGIGJMVVZES-TUVUNVSASA-N
SMILES O=C1N2C(=NC3=C1C=CC=CO3)[C@@](OC)(NC([C@H]2CC4=CC=CC=C4)=O)[C@H](CC)C
Metabolite of Species Details
Aspergillusspecies SCSIO XWS02F40 (NCBI:txid1754195) See: PubMed
ChEBI Ontology
Outgoing Protuboxepin C (CHEBI:208784) is a pyrimidone (CHEBI:38337)
IUPAC Name
(4R,7R)-7-benzyl-4-[(2S)-butan-2-yl]-4-methoxy-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione
Manual Xref Database
71048516 ChemSpider
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