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CHEBI:202770 - Colletobredin D

ChEBI IDCHEBI:202770
ChEBI NameColletobredin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H31ClO8
Net Charge0
Average Mass446.924
Monoisotopic Mass446.17075
SMILESCCCCC[C@H]1Cc2c(Cl)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c(O)c2CO1
InChIInChI=1S/C21H31ClO8/c1-3-4-5-6-11-7-12-13(9-28-11)16(24)10(2)20(15(12)22)30-21-19(27)18(26)17(25)14(8-23)29-21/h11,14,17-19,21,23-27H,3-9H2,1-2H3/t11-,14+,17+,18-,19+,21-/m0/s1
InChIKeyDHTAEMPKNODJAP-KFYOOSJMSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum (ncbitaxon:5455) - PubMed (26182330)
ChEBI Ontology
Outgoing Relation(s)
Colletobredin D (CHEBI:202770) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4S,5S,6R)-2-[[(3S)-5-chloro-8-hydroxy-7-methyl-3-pentyl-3,4-dihydro-1H-isochromen-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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78440908ChemSpider