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CHEBI:205774 - Brevione C

ChEBI IDCHEBI:205774
ChEBI NameBrevione C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O4
Net Charge0
Average Mass420.549
Monoisotopic Mass420.23006
SMILESCC1=CC(=O)C=C[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H]2CC=C(C)[C@]12Cc1c(c(C)c(C)oc1=O)O2
InChIInChI=1S/C27H32O4/c1-15-13-19(28)9-11-25(5)21(15)10-12-26(6)22(25)8-7-16(2)27(26)14-20-23(31-27)17(3)18(4)30-24(20)29/h7,9,11,13,21-22H,8,10,12,14H2,1-6H3/t21-,22+,25-,26+,27-/m1/s1
InChIKeyYIMHQYHZZQFOJT-YFSQZJJESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (11149849)
ChEBI Ontology
Outgoing Relation(s)
Brevione C (CHEBI:205774) is a pyranone (CHEBI:37963)
IUPAC Name 
(2R,4'aS,6'aR,11'aR,11'bS)-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
78436166ChemSpider