EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225071 - Blennolide C

ChEBI IDCHEBI:225071
ChEBI NameBlennolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O7
Net Charge0
Average Mass320.297
Monoisotopic Mass320.08960
SMILESCOC(=O)[C@@]12Oc3cc(C)cc(O)c3C(O)=C1C(=O)CC[C@@H]2O
InChIInChI=1S/C16H16O7/c1-7-5-9(18)12-10(6-7)23-16(15(21)22-2)11(19)4-3-8(17)13(16)14(12)20/h5-6,11,18-20H,3-4H2,1-2H3/t11-,16-/m0/s1
InChIKeySJQAGFFWDIYMAI-ZBEGNZNMSA-N
ChEBI Ontology
Outgoing Relation(s)
Blennolide C (CHEBI:225071) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (4S,4aR)-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
Manual XrefsDatabases
78437765ChemSpider