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CHEBI:200746 - Palmarumycin B3

ChEBI IDCHEBI:200746
ChEBI NamePalmarumycin B3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O8
Net Charge0
Average Mass386.356
Monoisotopic Mass386.10017
SMILESO[C@@H]1[C@@H](O)C2(Oc3cccc4cccc(c34)O2)[C@@]23O[C@@]2([C@@H](O)C=C[C@H]3O)[C@H]1O
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/h1-8,12-13,15-17,21-25H/t12-,13+,15-,16-,17+,18-,19-/m0/s1
InChIKeyPKEIHANGEAWICI-XJOGIRLRSA-N
Species of MetaboliteComponentSourceComments
Berkleasmiumspecies (ncbitaxon:1950114) - PubMed (25237727)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin B3 (CHEBI:200746) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(1S,2S,3S,4R,6S,7R,10S)-spiro[11-oxatricyclo[4.4.1.01,6]undec-8-ene-5,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-2,3,4,7,10-pentol
Manual XrefsDatabases
59008227ChemSpider