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CHEBI:212904 - 1-Hydroxy-collybolide

ChEBI IDCHEBI:212904
ChEBI Name1-Hydroxy-collybolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O8
Net Charge0
Average Mass412.394
Monoisotopic Mass412.11582
SMILESC[C@]12C[C@H](OC1=O)[C@@H](O)[C@H]1C(=O)O[C@@H](c3ccoc3)[C@H](OC(=O)c3ccccc3)[C@@H]12
InChIInChI=1S/C22H20O8/c1-22-9-13(28-21(22)26)16(23)14-15(22)18(30-19(24)11-5-3-2-4-6-11)17(29-20(14)25)12-7-8-27-10-12/h2-8,10,13-18,23H,9H2,1H3/t13-,14-,15+,16+,17-,18+,22+/m0/s1
InChIKeyACQFNXPWIUICHP-LUCCEVRESA-N
Species of MetaboliteComponentSourceComments
Rhodocollybia maculata (ncbitaxon:2074862) - DOI (10.1016/s0040-4020(01)00120-x)
ChEBI Ontology
Outgoing Relation(s)
1-Hydroxy-collybolide (CHEBI:212904) is a benzoate ester (CHEBI:36054)
IUPAC Name 
[(1R,2S,3R,4S,7S,8S,9S)-4-(uran-3-yl)-8-hydroxy-1-methyl-6,11-dioxo-5,10-dioxatricyclo[7.2.1.02,7]dodecan-3-yl] benzoate
Manual XrefsDatabases
10277839ChemSpider