CHEBI:199868 - Apicularen A

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ChEBI Name Apicularen A
ChEBI ID CHEBI:199868
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H31NO6
Net Charge 0
Average Mass 441.524
Monoisotopic Mass 441.21514
InChI InChI=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+
InChIKey MVOORUCGKRDJFW-UYSGNFFCSA-N
SMILES O=C1OC(CC2OC(CC=3C1=C(O)C=CC3)CC(C2)O)C/C=C/NC(=O)/C=C\C=C/CC
Metabolite of Species Details
Chondromyces robustus (NCBI:txid83448) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
8021854 ChemSpider
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