EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213177 - Virgatolide A

ChEBI IDCHEBI:213177
ChEBI NameVirgatolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O9
Net Charge0
Average Mass434.441
Monoisotopic Mass434.15768
SMILESC[C@H](O)[C@H]1OC(=O)c2c1cc1c(c2O)C[C@H](C)[C@@]2(C[C@@]3(C[C@@H](O)C(=O)O3)C[C@H](C)O2)O1
InChIInChI=1S/C22H26O9/c1-9-4-12-15(5-13-16(17(12)25)20(27)28-18(13)11(3)23)30-22(9)8-21(6-10(2)29-22)7-14(24)19(26)31-21/h5,9-11,14,18,23-25H,4,6-8H2,1-3H3/t9-,10-,11-,14+,18+,21-,22+/m0/s1
InChIKeyQTQCQKPBJYDKHV-ZEUIEBOTSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis virgatula (ncbitaxon:290289) - PubMed (21495643)
ChEBI Ontology
Outgoing Relation(s)
Virgatolide A (CHEBI:213177) is a benzofurans (CHEBI:35259)
Manual XrefsDatabases
28288841ChemSpider