EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:68118 - arthrobotrisin A

ChEBI IDCHEBI:68118
ChEBI Namearthrobotrisin A
Stars
DefinitionA natural product found in Arthrobotrys oligospora.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H34O6
Net Charge0
Average Mass394.508
Monoisotopic Mass394.23554
SMILES[H][C@@]12O[C@]1([C@@H](O)/C=C(\C)C[C@@H](O)/C=C(\C)CCC=C(C)C)[C@@H](O)C=C(CO)[C@H]2O
InChIInChI=1S/C22H34O6/c1-13(2)6-5-7-14(3)8-17(24)9-15(4)10-18(25)22-19(26)11-16(12-23)20(27)21(22)28-22/h6,8,10-11,17-21,23-27H,5,7,9,12H2,1-4H3/b14-8+,15-10+/t17-,18-,19-,20+,21-,22+/m0/s1
InChIKeyGIACKNPQRFVICY-XMCVGHNMSA-N
Species of MetaboliteComponentSourceComments
Arthrobotrys oligospora (ncbitaxon:13349) - PubMed (21568306) Ethyl acetate extract of culture broth filtrate of Strain YMF 1.3170 isolated from a grapery Strain: YMF 1.3170
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
arthrobotrisin A (CHEBI:68118) has role metabolite (CHEBI:25212)
arthrobotrisin A (CHEBI:68118) is a diterpenoid (CHEBI:23849)
Synonym  Source
(1'R,2'S,5'R,6'S)-1-((1'S,2'E,5'R,6'E)-1,5-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl)-4-(hydroxymethyl)-7-oxa-bicyclo[4.1.0]hept-3-ene-2,5-diolChEBI
Citations