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CHEBI:217293 - Palmarumycin M1

ChEBI IDCHEBI:217293
ChEBI NamePalmarumycin M1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O5
Net Charge0
Average Mass340.375
Monoisotopic Mass340.13107
SMILESO[C@@H]1CC[C@H](O)[C@@H]2[C@@H]1C1(C=C[C@@H]2O)Oc2cccc3cccc(c23)O1
InChIInChI=1S/C20H20O5/c21-12-7-8-14(23)19-18(12)13(22)9-10-20(19)24-15-5-1-3-11-4-2-6-16(25-20)17(11)15/h1-6,9-10,12-14,18-19,21-23H,7-8H2/t12-,13-,14+,18-,19+/m0/s1
InChIKeySRIQWHSUZMCUCB-ZXGKTVMQSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsis (ncbitaxon:107453) - DOI (10.1002/ejoc.200700348)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin M1 (CHEBI:217293) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(1R,4S,4aS,5S,8aS)-spiro[2,3,4,4a,5,8a-hexahydro-1H-naphthalene-8,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1,4,5-triol
Manual XrefsDatabases
28283851ChemSpider