EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203776 - Austalide H acid

ChEBI IDCHEBI:203776
ChEBI NameAustalide H acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O8
Net Charge0
Average Mass462.539
Monoisotopic Mass462.22537
SMILESCOc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](O)[C@@H](C(C)(C)O)[C@](C)(CCC(=O)O)[C@H]1C2
InChIInChI=1S/C25H34O8/c1-12-14-11-32-22(29)18(14)20(31-6)13-9-16-24(4,8-7-17(27)28)21(23(2,3)30)15(26)10-25(16,5)33-19(12)13/h15-16,21,26,30H,7-11H2,1-6H3,(H,27,28)/t15-,16-,21+,24-,25+/m1/s1
InChIKeyNNOMPFCNQCRAIO-JSGMTKEVSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24852445)
ChEBI Ontology
Outgoing Relation(s)
Austalide H acid (CHEBI:203776) is a xanthenes (CHEBI:38835)
IUPAC Name 
3-[(5aS,7R,8S,9R,9aR)-7-hydroxy-8-(2-hydroxypropan-2-yl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,6,7,8,9a,10-hexahydro-[2]benzouro[5,6-b]chromen-9-yl]propanoic acid
Manual XrefsDatabases
32674947ChemSpider