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CHEBI:213865 - Palmarumycin CE1

ChEBI IDCHEBI:213865
ChEBI NamePalmarumycin CE1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O5
Net Charge0
Average Mass338.359
Monoisotopic Mass338.11542
SMILESO=C1C=CC2(Oc3cccc4cccc(c34)O2)[C@H]2[C@@H]1[C@@H](O)CC[C@H]2O
InChIInChI=1S/C20H18O5/c21-12-7-8-14(23)19-18(12)13(22)9-10-20(19)24-15-5-1-3-11-4-2-6-16(25-20)17(11)15/h1-6,9-10,12,14,18-19,21,23H,7-8H2/t12-,14+,18+,19+/m0/s1
InChIKeyGNGBJYHHQABICI-MQRGZFNUSA-N
Species of MetaboliteComponentSourceComments
Anteaglonium (ncbitaxon:714361) - PubMed (26539727)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin CE1 (CHEBI:213865) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(4'aS,5'R,8'S,8'aR)-5',8'-dihydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-4a,5,6,7,8,8a-hexahydronaphthalene]-1'-one
Manual XrefsDatabases
78442706ChemSpider