CHEBI:217132 - Epicoccarine A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Epicoccarine A
ChEBI ID CHEBI:217132
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H31NO4
Net Charge 0
Average Mass 385.504
Monoisotopic Mass 385.22531
InChI InChI=1S/C23H31NO4/c1-5-6-14(2)11-15(3)12-16(4)21(26)20-22(27)19(24-23(20)28)13-17-7-9-18(25)10-8-17/h6-10,15-16,19,25-26H,5,11-13H2,1-4H3,(H,24,28)/b14-6+,21-20-/t15-,16-,19-/m0/s1
InChIKey KGVANRZKBPUYPV-PWFBFJQWSA-N
SMILES O=C/1N[C@@H](CC2=CC=C(O)C=C2)C(\C1=C(\O)/[C@H](C[C@H](C/C(=C/CC)/C)C)C)=O
Metabolite of Species Details
Epicoccumspecies (NCBI:txid1859956) See: PubMed
ChEBI Ontology
Outgoing Epicoccarine A (CHEBI:217132) is a phenols (CHEBI:33853)
IUPAC Name
(3Z,5S)-5-[(4-hydroxyphenyl)methyl]-3-[(E,2S,4R)-1-hydroxy-2,4,6-trimethylnon-6-enylidene]pyrrolidine-2,4-dione
Manual Xref Database
78438135 ChemSpider
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