CHEBI:221512 - Versicamide C

ChEBI IDCHEBI:221512
ChEBI NameVersicamide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31N3O5
Net Charge0
Average Mass477.561
Monoisotopic Mass477.22637
SMILESCO[C@]12C(=O)N3C=CC(C)(C)c4nc5c6c(ccc5c4C[C@H]3C(=O)N1CC[C@@H]2O)OC(C)(C)C=C6
InChIInChI=1S/C27H31N3O5/c1-25(2)11-13-29-18(23(32)30-12-9-20(31)27(30,34-5)24(29)33)14-17-15-6-7-19-16(21(15)28-22(17)25)8-10-26(3,4)35-19/h6-8,10-11,13,18,20,28,31H,9,12,14H2,1-5H3/t18-,20-,27+/m0/s1
InChIKeySQAOYGKFCFICRF-GGZJYHEGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25089636)
ChEBI Ontology
Outgoing Relation(s)
Versicamide C (CHEBI:221512) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3S,8S,9R)-8-hydroxy-9-methoxy-14,14,21,21-tetramethyl-22-oxa-5,11,16-triazahexacyclo[13.11.0.03,11.05,9.017,26.018,23]hexacosa-1(15),12,17(26),18(23),19,24-hexaene-4,10-dione