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CHEBI:198469 - Brevione D

ChEBI IDCHEBI:198469
ChEBI NameBrevione D
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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]3CC=C(C)[C@]4(Oc5c(C)c(C)oc(=O)c5[C@@H]4O)[C@]3(C)CC[C@@H]12
InChIInChI=1S/C27H32O5/c1-14-13-18(28)9-11-25(5)19(14)10-12-26(6)20(25)8-7-15(2)27(26)23(29)21-22(32-27)16(3)17(4)31-24(21)30/h7,9,11,13,19-20,23,29H,8,10,12H2,1-6H3/t19-,20+,23-,25-,26+,27+/m0/s1
InChIKeyBZAWPVNAOLWAMU-ZSTIODBZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (11149849)
ChEBI Ontology
Outgoing Relation(s)
Brevione D (CHEBI:198469) is a pyranone (CHEBI:37963)
IUPAC Name 
(2S,3S,4'aR,6'aS,11'aS,11'bR)-3-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
Manual XrefsDatabases
78436137ChemSpider