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CHEBI:203216 - Blennolide B

Default Structure
ChEBI IDCHEBI:203216
ChEBI NameBlennolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O7
Net Charge0
Average Mass320.297
Monoisotopic Mass320.08960
SMILESCOC(=O)[C@@]12Oc3cccc(O)c3C(O)=C1C(=O)C[C@H](C)[C@H]2O
InChIInChI=1S/C16H16O7/c1-7-6-9(18)12-13(19)11-8(17)4-3-5-10(11)23-16(12,14(7)20)15(21)22-2/h3-5,7,14,17,19-20H,6H2,1-2H3/t7-,14+,16+/m0/s1
InChIKeyUJLVPNBSIOYKAF-HXLRMTTFSA-N
ChEBI Ontology
Outgoing Relation(s)
Blennolide B (CHEBI:203216) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (3S,4R,4aR)-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
Manual XrefsDatabases
78436978ChemSpider