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CHEBI:199868 - Apicularen A

ChEBI IDCHEBI:199868
ChEBI NameApicularen A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31NO6
Net Charge0
Average Mass441.524
Monoisotopic Mass441.21514
SMILESCC/C=C\C=C/C(=O)N/C=C/CC1CC2CC(O)CC(Cc3cccc(O)c3C(=O)O1)O2
InChIInChI=1S/C25H31NO6/c1-2-3-4-5-11-23(29)26-12-7-9-19-16-21-15-18(27)14-20(31-21)13-17-8-6-10-22(28)24(17)25(30)32-19/h3-8,10-12,18-21,27-28H,2,9,13-16H2,1H3,(H,26,29)/b4-3-,11-5-,12-7+
InChIKeyMVOORUCGKRDJFW-UYSGNFFCSA-N
Species of MetaboliteComponentSourceComments
Chondromyces robustus (ncbitaxon:83448) - PubMed (10048565)
ChEBI Ontology
Outgoing Relation(s)
Apicularen A (CHEBI:199868) is a phenols (CHEBI:33853)
IUPAC Name 
(2Z,4Z)-N-[(E)-3-(7,15-dihydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-11-yl)prop-1-enyl]hepta-2,4-dienamide
Manual XrefsDatabases
8021854ChemSpider