CHEBI:198939 - Varioxepine A

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ChEBI Name Varioxepine A
ChEBI ID CHEBI:198939
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H29N3O5
Net Charge 0
Average Mass 463.534
Monoisotopic Mass 463.21072
InChI InChI=1S/C26H29N3O5/c1-16(2)20-21-28-23-25(12-8-9-13-31-23)26(33-19(15-32-25)24(3,4)34-26)29(21)18(22(30)27-20)14-17-10-6-5-7-11-17/h5-13,16,18-19H,14-15H2,1-4H3,(H,27,30)/t18-,19+,25+,26-/m0/s1
InChIKey PZRCCRWGGJKTKC-GZLQHJCCSA-N
SMILES O=C1NC(=C2N=C3OC=CC=C[C@@]43[C@@]5(N2[C@H]1CC6=CC=CC=C6)OC(C)(C)[C@H](O5)CO4)C(C)C
Metabolite of Species Details
Paecilomyces var.otii (NCBI:txid264951) See: PubMed
ChEBI Ontology
Outgoing Varioxepine A (CHEBI:198939) has functional parent α-amino acid (CHEBI:33704)
Varioxepine A (CHEBI:198939) is a organonitrogen compound (CHEBI:35352)
Varioxepine A (CHEBI:198939) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,3S,15R,18R)-3-benzyl-19,19-dimethyl-6-propan-2-yl-10,16,20,21-tetraoxa-2,5,8-triazapentacyclo[16.2.1.01,15.02,7.09,15]henicosa-6,8,11,13-tetraen-4-one
Manual Xref Database
34452040 ChemSpider
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