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CHEBI:67827 - austocystin D

ChEBI IDCHEBI:67827
ChEBI Nameaustocystin D
Stars
DefinitionAn organic heteropentacyclic compound isolated from Aspergillus and Aspergillus ustus and has been shown to exhibit cytotoxic activity.
Last Modified9 October 2013
DownloadsMolfile
FormulaC22H20O8
Net Charge0
Average Mass412.394
Monoisotopic Mass412.11582
SMILES[H][C@]12OC=C[C@@]1(O)c1c(cc3oc4c(CCC(C)(C)O)ccc(O)c4c(=O)c3c1O)O2
InChIInChI=1S/C22H20O8/c1-21(2,26)6-5-10-3-4-11(23)14-17(24)15-12(29-19(10)14)9-13-16(18(15)25)22(27)7-8-28-20(22)30-13/h3-4,7-9,20,23,25-27H,5-6H2,1-2H3/t20-,22-/m1/s1
InChIKeyVXTQFTUOAJRUDO-IFMALSPDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (21348461) Strain: UGM218
Aspergillus ustus (ncbitaxon:40382) - PubMed (21348461) Maize meal cultures of Aspergillus ustus
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
austocystin D (CHEBI:67827) has role Aspergillus metabolite (CHEBI:76956)
austocystin D (CHEBI:67827) has role antineoplastic agent (CHEBI:35610)
austocystin D (CHEBI:67827) is a cyclic ketone (CHEBI:3992)
austocystin D (CHEBI:67827) is a organic heteropentacyclic compound (CHEBI:38164)
austocystin D (CHEBI:67827) is a oxacycle (CHEBI:38104)
austocystin D (CHEBI:67827) is a polyphenol (CHEBI:26195)
IUPAC Name 
(3aR,12aR)-3a,4,6-trihydroxy-9-(3-hydroxy-3-methylbutyl)-3a,12a-dihydro-5H-furo[3',2':4,5]furo[3,2-b]xanthen-5-one
Registry NumbersSources
Reaxys:5176992Reaxys
CAS:55256-53-6ChemIDplus
Citations