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CHEBI:221444 - Palmarumycin CE2

ChEBI IDCHEBI:221444
ChEBI NamePalmarumycin CE2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O5
Net Charge0
Average Mass340.375
Monoisotopic Mass340.13107
SMILESO=C1CCC2(Oc3cccc4cccc(c34)O2)[C@H]2[C@@H]1[C@@H](O)CC[C@H]2O
InChIInChI=1S/C20H20O5/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/h1-6,12,14,18-19,21,23H,7-10H2/t12-,14+,18+,19+/m0/s1
InChIKeyLYHLLBJEQIPGLK-MQRGZFNUSA-N
Species of MetaboliteComponentSourceComments
Anteaglonium (ncbitaxon:714361) - PubMed (26539727)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin CE2 (CHEBI:221444) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(4aS,5R,8S,8aR)-5,8-dihydroxyspiro[2,3,4a,5,6,7,8,8a-octahydronaphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-one
Manual XrefsDatabases
78442660ChemSpider