CHEBI:218914 - Conipyridoin E

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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 Conipyridoin E
ChEBI ID CHEBI:218914
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H27NO4
Net Charge 0
Average Mass 393.483
Monoisotopic Mass 393.19401
InChI InChI=1S/C24H27NO4/c1-13-3-10-18-16(11-13)7-4-14(2)20(18)23(28)21-22(27)19(25-24(21)29)12-15-5-8-17(26)9-6-15/h4-9,12-14,16,18,20,26-27H,3,10-11H2,1-2H3,(H,25,29)/t13-,14-,16-,18-,20-/m0/s1
InChIKey ZTPRGNSDYJYDLV-GDQDSAMQSA-N
SMILES O=C1NC(=CC2=CC=C(O)C=C2)C(=C1C(=O)[C@@H]3[C@@H]4[C@@H](C=C[C@@H]3C)C[C@@H](C)CC4)O
Metabolite of Species Details
Coniochaeta cephalothecoides (NCBI:txid2033264) See: PubMed
ChEBI Ontology
Outgoing Conipyridoin E (CHEBI:218914) is a phenols (CHEBI:33853)
IUPAC Name
3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-4-hydroxy-5-[(4-hydroxyphenyl)methylidene]pyrrol-2-one
Manual Xref Database
78439471 ChemSpider
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