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CHEBI:224819 - Varioxepine B

ChEBI IDCHEBI:224819
ChEBI NameVarioxepine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31N3O5
Net Charge0
Average Mass477.561
Monoisotopic Mass477.22637
SMILESCC[C@@H](C)C1=C2N=C3OC=CC=C[C@@]34OC[C@H]3O[C@@]4(OC3(C)C)N2[C@@H](Cc2ccccc2)C(=O)N1
InChIInChI=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
InChIKeyQUGPSPNIFZMGKK-DIWUPSHVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (32897070)
ChEBI Ontology
Outgoing Relation(s)
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