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CHEBI:204003 - Palmarumycin C16

ChEBI IDCHEBI:204003
ChEBI NamePalmarumycin C16
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O7
Net Charge0
Average Mass370.357
Monoisotopic Mass370.10525
SMILESOC1CC[C@@H](O)[C@]23O[C@]12C1(Oc2cccc4cccc(c24)O1)[C@H]1O[C@H]1[C@H]3O
InChIInChI=1S/C20H18O7/c21-12-7-8-13(22)19-18(12,27-19)16(23)15-17(24-15)20(19)25-10-5-1-3-9-4-2-6-11(26-20)14(9)10/h1-6,12-13,15-17,21-23H,7-8H2/t12-,13?,15+,16-,17+,18-,19-/m1/s1
InChIKeyQCIVQEKYSGBTOX-LYYLEWAKSA-N
Species of MetaboliteComponentSourceComments
Coniothyriumspecies (ncbitaxon:1756115) - DOI (10.1002/jlac.199419941108)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin C16 (CHEBI:204003) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(1'R,2'R,3'S,5'S,7'R,11'R)-spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,6'-4,12-dioxatetracyclo[5.4.1.01,7.03,5]dodecane]-2',8',11'-triol
Manual XrefsDatabases
8424051ChemSpider