CHEBI:224819 - Varioxepine B

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ChEBI Name Varioxepine B
ChEBI ID CHEBI:224819
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H31N3O5
Net Charge 0
Average Mass 477.561
Monoisotopic Mass 477.22637
InChI InChI=1S/C27H31N3O5/c1-5-17(2)21-22-29-24-26(13-9-10-14-32-24)27(34-20(16-33-26)25(3,4)35-27)30(22)19(23(31)28-21)15-18-11-7-6-8-12-18/h6-14,17,19-20H,5,15-16H2,1-4H3,(H,28,31)/t17-,19+,20-,26-,27+/m1/s1
InChIKey QUGPSPNIFZMGKK-DIWUPSHVSA-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@@H](CC)C
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: PubMed
ChEBI Ontology
Outgoing Varioxepine B (CHEBI:224819) has functional parent α-amino acid (CHEBI:33704)
Varioxepine B (CHEBI:224819) is a organonitrogen compound (CHEBI:35352)
Varioxepine B (CHEBI:224819) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,3S,15R,18R)-3-benzyl-6-[(2R)-butan-2-yl]-19,19-dimethyl-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