EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215848 - Cochliospicin A

ChEBI IDCHEBI:215848
ChEBI NameCochliospicin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O6
Net Charge0
Average Mass322.357
Monoisotopic Mass322.14164
SMILESCC[C@@]1(C)C(=O)C2=C(C(=O)[C@]13C[C@@H](O)C(=O)O3)[C@@H](C)[C@@H](C)OC2
InChIInChI=1S/C17H22O6/c1-5-16(4)13(19)10-7-22-9(3)8(2)12(10)14(20)17(16)6-11(18)15(21)23-17/h8-9,11,18H,5-7H2,1-4H3/t8-,9+,11+,16-,17+/m0/s1
InChIKeyYXBCBQJJLPBBMD-IWFFIOHPSA-N
Species of MetaboliteComponentSourceComments
Curvulariaspeciescifera (ncbitaxon:145392) - DOI (10.1021/np960713o)
ChEBI Ontology
Outgoing Relation(s)
Cochliospicin A (CHEBI:215848) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3R,3'R,4R,6S,7R)-7-ethyl-3'-hydroxy-3,4,7-trimethylspiro[3,4-dihydro-1H-isochromene-6,5'-oxolane]-2',5,8-trione
Manual XrefsDatabases
8743219ChemSpider