CHEBI:223750 - Versicamide D

ChEBI IDCHEBI:223750
ChEBI NameVersicamide D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H27N3O4
Net Charge0
Average Mass445.519
Monoisotopic Mass445.20016
SMILESCC1(C)C=Cc2c(ccc3c2N=C2C(C)(C)C=CN4C(=O)C5=CCCN5C(=O)[C@@H]4C[C@@]23O)O1
InChIInChI=1S/C26H27N3O4/c1-24(2)11-13-29-18(22(31)28-12-5-6-17(28)21(29)30)14-26(32)16-7-8-19-15(20(16)27-23(24)26)9-10-25(3,4)33-19/h6-11,13,18,32H,5,12,14H2,1-4H3/t18-,26-/m0/s1
InChIKeyKBFQQKDBYAQJJS-QYBDOPJKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25089636)
ChEBI Ontology
Outgoing Relation(s)
Versicamide D (CHEBI:223750) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1S,3S)-1-hydroxy-14,14,21,21-tetramethyl-22-oxa-5,11,16-triazahexacyclo[13.11.0.03,11.05,9.017,26.018,23]hexacosa-8,12,15,17(26),18(23),19,24-heptaene-4,10-dione