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CHEBI:225858 - Palmarumycin M2

ChEBI IDCHEBI:225858
ChEBI NamePalmarumycin M2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O6
Net Charge0
Average Mass356.374
Monoisotopic Mass356.12599
SMILESO=C1C[C@@H](O)C2(Oc3cccc4cccc(c34)O2)[C@H]2[C@H]1[C@@H](O)CC[C@H]2O
InChIInChI=1S/C20H20O6/c21-11-7-8-12(22)19-18(11)13(23)9-16(24)20(19)25-14-5-1-3-10-4-2-6-15(26-20)17(10)14/h1-6,11-12,16,18-19,21-22,24H,7-9H2/t11-,12+,16+,18-,19+/m0/s1
InChIKeyAIRGVOJFWBISSO-FBLTZUPUSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsisspecies (ncbitaxon:1874263) - DOI (10.1002/ejoc.200700348)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin M2 (CHEBI:225858) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(3R,4aS,5R,8S,8aS)-3,5,8-trihydroxyspiro[2,3,4a,5,6,7,8,8a-octahydronaphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-one
Manual XrefsDatabases
78442742ChemSpider