EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207704 - (-)-brevicolide A

ChEBI IDCHEBI:207704
ChEBI Name(-)-brevicolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O7
Net Charge0
Average Mass336.340
Monoisotopic Mass336.12090
SMILESCOc1c(C)c2c(c(O)c1C[C@H](O)[C@@]1(C)CCC(=O)O1)C(=O)OC2
InChIInChI=1S/C17H20O7/c1-8-10-7-23-16(21)13(10)14(20)9(15(8)22-3)6-11(18)17(2)5-4-12(19)24-17/h11,18,20H,4-7H2,1-3H3/t11-,17+/m0/s1
InChIKeyWSNMPAVSZJSIMT-APPDUMDISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.6023/cjoc201705002)
ChEBI Ontology
Outgoing Relation(s)
(-)-brevicolide A (CHEBI:207704) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
7-hydroxy-6-[(2S)-2-hydroxy-2-[(2R)-2-methyl-5-oxooxolan-2-yl]ethyl]-5-methoxy-4-methyl-3H-2-benzouran-1-one
Manual XrefsDatabases
64808751ChemSpider