EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219998 - Brevione A

ChEBI IDCHEBI:219998
ChEBI NameBrevione A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O4
Net Charge0
Average Mass422.565
Monoisotopic Mass422.24571
SMILESCC1=CC[C@H]2[C@]3(C)C=CC(=O)C(C)(C)[C@H]3CC[C@]2(C)[C@@]12Cc1c(c(C)c(C)oc1=O)O2
InChIInChI=1S/C27H34O4/c1-15-8-9-20-25(6)12-11-21(28)24(4,5)19(25)10-13-26(20,7)27(15)14-18-22(31-27)16(2)17(3)30-23(18)29/h8,11-12,19-20H,9-10,13-14H2,1-7H3/t19-,20+,25-,26+,27-/m1/s1
InChIKeyUEDJWUJYTSKAJA-PCWYVQTFSA-N
Species of MetaboliteComponentSourceComments
Penicillium brevicompactum (ncbitaxon:5074) - DOI (10.1016/s0040-4039(00)00223-9)
ChEBI Ontology
Outgoing Relation(s)
Brevione A (CHEBI:219998) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(2R,4'aS,4'bS,8'aS,10'aS)-1',1',4'a,6,7,7',8'a-heptamethylspiro[3H-uro[3,2-c]pyran-2,8'-5,9,10,10a-tetrahydro-4bH-phenanthrene]-2',4-dione
Manual XrefsDatabases
78440403ChemSpider