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CHEBI:215671 - Palmarumycin B1

ChEBI IDCHEBI:215671
ChEBI NamePalmarumycin B1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O8
Net Charge0
Average Mass384.340
Monoisotopic Mass384.08452
SMILESO=C1C=C[C@H](O)[C@@]23O[C@@]12C1(Oc2cccc4cccc(c24)O1)[C@H](O)[C@@H](O)[C@@H]3O
InChIInChI=1S/C20H16O8/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/h1-8,12,15-17,21,23-25H/t12-,15-,16-,17+,18-,19-/m0/s1
InChIKeyVECNRBBJPZNVDG-SBIIOWDGSA-N
Species of MetaboliteComponentSourceComments
Berkleasmiumspecies (ncbitaxon:1950114) - PubMed (25237727)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin B1 (CHEBI:215671) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(1R,5S,6S,7S,8S,9R)-5,7,8,9-tetrahydroxyspiro[11-oxatricyclo[4.4.1.01,6]undec-3-ene-10,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-2-one
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59008218ChemSpider