EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199922 - Wortmannine C

ChEBI IDCHEBI:199922
ChEBI NameWortmannine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O9
Net Charge0
Average Mass420.414
Monoisotopic Mass420.14203
SMILESCOC[C@H]1OC(=O)[C@@H]2[C@H](O)OC(=O)[C@@]23C(=O)C2=C([C@H](O)C[C@]4(C)C(=O)CC[C@@H]24)[C@@]13C
InChIInChI=1S/C21H24O9/c1-19-6-9(22)13-12(8(19)4-5-10(19)23)15(24)21-14(17(26)30-18(21)27)16(25)29-11(7-28-3)20(13,21)2/h8-9,11,14,17,22,26H,4-7H2,1-3H3/t8-,9+,11+,14+,17+,19-,20+,21-/m0/s1
InChIKeyDCMTVAMADGPMEE-GHGOEYCCSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - DOI (10.1016/j.tetlet.2016.09.004)
ChEBI Ontology
Outgoing Relation(s)
Wortmannine C (CHEBI:199922) is a furopyran (CHEBI:74927)
IUPAC Name 
(1S,4R,8S,10R,12R,13S,16S,17R)-10,17-dihydroxy-13-(methoxymethyl)-8,12-dimethyl-14,18-dioxapentacyclo[10.7.0.01,16.03,11.04,8]nonadec-3(11)-ene-2,7,15,19-tetrone
Manual XrefsDatabases
78440798ChemSpider