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CHEBI:217446 - Penexanthone B

ChEBI IDCHEBI:217446
ChEBI NamePenexanthone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O8
Net Charge0
Average Mass376.361
Monoisotopic Mass376.11582
SMILESCC(=O)OC[C@]12Oc3cccc(O)c3C(O)=C1C(=O)C[C@@H](C)[C@H]2OC(C)=O
InChIInChI=1S/C19H20O8/c1-9-7-13(23)16-17(24)15-12(22)5-4-6-14(15)27-19(16,8-25-10(2)20)18(9)26-11(3)21/h4-6,9,18,22,24H,7-8H2,1-3H3/t9-,18-,19+/m1/s1
InChIKeyNHGCHJUCHVUXHO-VUXJGSIMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (22458669)
ChEBI Ontology
Outgoing Relation(s)
Penexanthone B (CHEBI:217446) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(3R,4R,4aR)-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate
Manual XrefsDatabases
78438660ChemSpider