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CHEBI:207100 - Chartarene A

ChEBI IDCHEBI:207100
ChEBI NameChartarene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O7
Net Charge0
Average Mass398.496
Monoisotopic Mass398.23045
SMILESCC1=C[C@@H]2O[C@]3(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)CCC[C@]3(C)[C@@]2(C)CC1
InChIInChI=1S/C21H34O7/c1-12-5-8-19(2)14(9-12)28-21(7-4-6-20(19,21)3)11-26-18-17(25)16(24)15(23)13(10-22)27-18/h9,13-18,22-25H,4-8,10-11H2,1-3H3/t13-,14+,15-,16+,17+,18-,19+,20-,21+/m1/s1
InChIKeyRHSWUVSQGOLHGB-OZVDZDPVSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - DOI (10.1039/c6ra26956g)
ChEBI Ontology
Outgoing Relation(s)
Chartarene A (CHEBI:207100) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3S,4S,5S,6R)-2-[[(3aR,4aS,8aR,8bR)-6,8a,8b-trimethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzouran-3a-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
61708717ChemSpider