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CHEBI:223202 - Palmarumycin B2

ChEBI IDCHEBI:223202
ChEBI NamePalmarumycin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O8
Net Charge0
Average Mass386.356
Monoisotopic Mass386.10017
SMILESO=C1CC[C@@H](O)[C@@]23O[C@@]12C1(Oc2cccc4cccc(c24)O1)[C@H](O)[C@@H](O)[C@@H]3O
InChIInChI=1S/C20H18O8/c21-12-7-8-13(22)19-18(12,28-19)16(24)15(23)17(25)20(19)26-10-5-1-3-9-4-2-6-11(27-20)14(9)10/h1-6,12,15-17,21,23-25H,7-8H2/t12-,15+,16+,17-,18+,19+/m1/s1
InChIKeyLEEKHHGNSCDKGR-LLZAJZRGSA-N
Species of MetaboliteComponentSourceComments
Berkleasmiumspecies (ncbitaxon:1950114) - PubMed (25237727)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin B2 (CHEBI:223202) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(1R,5R,6S,7S,8S,9R)-5,7,8,9-tetrahydroxyspiro[11-oxatricyclo[4.4.1.01,6]undecane-10,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-2-one
Manual XrefsDatabases
59008226ChemSpider