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CHEBI:149710 - deacetylpyripyropene E

ChEBI IDCHEBI:149710
ChEBI Namedeacetylpyripyropene E
Stars
DefinitionAn organic heterotetracyclic compound that is (3S,4aR,6aR,12aR,12bS)-3-hydroxy-4,4,6a,12b-tetramethyl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-11-one substituted by a pyridin-3-yl group at position 9 (the 3S,4aR,6aR,12aR,12bS stereoisomer).
Last Modified5 August 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H31NO4
Net Charge0
Average Mass409.526
Monoisotopic Mass409.22531
SMILES[H][C@]12Cc3c(cc(-c4cccnc4)oc3=O)O[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C25H31NO4/c1-23(2)19-7-10-25(4)20(24(19,3)9-8-21(23)27)12-16-18(30-25)13-17(29-22(16)28)15-6-5-11-26-14-15/h5-6,11,13-14,19-21,27H,7-10,12H2,1-4H3/t19-,20+,21-,24-,25+/m0/s1
InChIKeyHOWVEDNNRUDLMG-XVFVLVJGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - PubMed (26019565)
Aspergillus fumigatus (ncbitaxon:746128) - PubMed (20861902)
Roles Classification
Biological Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
deacetylpyripyropene E (CHEBI:149710) has role Aspergillus metabolite (CHEBI:76956)
deacetylpyripyropene E (CHEBI:149710) is a meroterpenoid (CHEBI:64419)
deacetylpyripyropene E (CHEBI:149710) is a organic heterotetracyclic compound (CHEBI:38163)
deacetylpyripyropene E (CHEBI:149710) is a pyridines (CHEBI:26421)
deacetylpyripyropene E (CHEBI:149710) is a secondary alcohol (CHEBI:35681)
deacetylpyripyropene E (CHEBI:149710) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(3S,4aR,6aR,12aR,12bS)-3-hydroxy-4,4,6a,12b-tetramethyl-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-11-one
Synonyms  Source
deacetyl-pyripyropene EChEBI
(3S,4aR,6aR,12aR,12bS)-3-hydroxy-4,4,6a,12b-tetramethyl-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-oneIUPAC
UniProt Name  Source
deacetylpyripyropene EUniProt
Citations