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CHEBI:211411 - Palmarumycin P1

ChEBI IDCHEBI:211411
ChEBI NamePalmarumycin P1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O6
Net Charge0
Average Mass366.369
Monoisotopic Mass366.11034
SMILESCO[C@H]1CC(=O)O[C@H]1[C@@H]1CC(=O)C=CC12Oc1cccc3cccc(c13)O2
InChIInChI=1S/C21H18O6/c1-24-17-11-18(23)25-20(17)14-10-13(22)8-9-21(14)26-15-6-2-4-12-5-3-7-16(27-21)19(12)15/h2-9,14,17,20H,10-11H2,1H3/t14-,17-,20-/m0/s1
InChIKeyUEVHSWCMDDZRBW-VHFSOBRXSA-N
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin P1 (CHEBI:211411) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(5'S)-5'-[(2S,3S)-3-methoxy-5-oxooxolan-2-yl]spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-cyclohex-2-ene]-1'-one
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35517118ChemSpider