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CHEBI:212849 - Ilicicolin I

ChEBI IDCHEBI:212849
ChEBI NameIlicicolin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO4
Net Charge0
Average Mass447.575
Monoisotopic Mass447.24096
SMILESC[C@@H]1CC[C@H]2[C@](C)(C=CC(=O)c3c(O)c(-c4ccc(O)cc4)cnc3=O)[C@H](C)C=C[C@]2(C)C1
InChIInChI=1S/C28H33NO4/c1-17-5-10-23-27(3,15-17)13-11-18(2)28(23,4)14-12-22(31)24-25(32)21(16-29-26(24)33)19-6-8-20(30)9-7-19/h6-9,11-14,16-18,23,30H,5,10,15H2,1-4H3,(H2,29,32,33)/t17-,18-,23-,27-,28-/m1/s1
InChIKeyPUXIVBOHLPMCTR-QEZWGDMUSA-N
Species of MetaboliteComponentSourceComments
Emericellopsis fimetaria (ncbitaxon:327576) - PubMed (28805711)
ChEBI Ontology
Outgoing Relation(s)
Ilicicolin I (CHEBI:212849) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
3-[3-[(1R,2R,4aS,6R,8aR)-1,2,4a,6-tetramethyl-2,5,6,7,8,8a-hexahydronaphthalen-1-yl]prop-2-enoyl]-4-hydroxy-5-(4-hydroxyphenyl)-1H-pyridin-2-one
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78440603ChemSpider