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CHEBI:198166 - Brevione G

ChEBI IDCHEBI:198166
ChEBI NameBrevione G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O5
Net Charge0
Average Mass436.548
Monoisotopic Mass436.22497
SMILESCC1=CC(=O)C=C[C@]2(C)[C@H]3[C@H](O)C=C(C)[C@@]4(Cc5c(c(C)c(C)oc5=O)O4)[C@]3(C)CC[C@@H]12
InChIInChI=1S/C27H32O5/c1-14-11-18(28)7-9-25(5)20(14)8-10-26(6)23(25)21(29)12-15(2)27(26)13-19-22(32-27)16(3)17(4)31-24(19)30/h7,9,11-12,20-21,23,29H,8,10,13H2,1-6H3/t20-,21+,23+,25-,26+,27-/m0/s1
InChIKeyJTYNVLZPECDEQA-KHLKASDESA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (19326880)
ChEBI Ontology
Outgoing Relation(s)
Brevione G (CHEBI:198166) is a pyranone (CHEBI:37963)
IUPAC Name 
(1'R,2S,4'aR,6'aS,11'aS,11'bR)-1'-hydroxy-3',4'a,6,7,7',11'a-hexamethylspiro[3H-uro[3,2-c]pyran-2,4'-5,6,6a,11b-tetrahydro-1H-cyclohepta[a]naphthalene]-4,9'-dione
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24617029ChemSpider