EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198433 - Colletobredin B

ChEBI IDCHEBI:198433
ChEBI NameColletobredin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O7
Net Charge0
Average Mass410.507
Monoisotopic Mass410.23045
SMILESCCCCC[C@H]1Cc2c(C)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(C)c(O)c2CO1
InChIInChI=1S/C22H34O7/c1-5-6-7-8-14-9-15-11(2)21(12(3)17(23)16(15)10-27-14)29-22-20(26)19(25)18(24)13(4)28-22/h13-14,18-20,22-26H,5-10H2,1-4H3/t13-,14-,18-,19+,20+,22-/m0/s1
InChIKeyQTGDWRXXCISJSC-BMRJRYBDSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum (ncbitaxon:5455) - PubMed (26182330)
ChEBI Ontology
Outgoing Relation(s)
Colletobredin B (CHEBI:198433) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4R,5R,6S)-2-[[(3S)-8-hydroxy-5,7-dimethyl-3-pentyl-3,4-dihydro-1H-isochromen-6-yl]oxy]-6-methyloxane-3,4,5-triol
Manual XrefsDatabases
78440731ChemSpider