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CHEBI:32155 - stigmatellin A

ChEBI IDCHEBI:32155
ChEBI Namestigmatellin A
Stars
DefinitionA member of the class of chromones that is isolated from Stigmatella aurantiaca Sg a15.
Secondary ChEBI IDCHEBI:45754
Last Modified11 November 2014
DownloadsMolfile
FormulaC30H42O7
Net Charge0
Average Mass514.659
Monoisotopic Mass514.29305
SMILESC/C=C(C)/C=C/C=C/[C@H](OC)[C@@H](C)[C@@H](OC)[C@@H](C)CCc1oc2c(O)c(OC)cc(OC)c2c(=O)c1C
InChIInChI=1S/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,21+,22-,29-/m0/s1
InChIKeyUZHDGDDPOPDJGM-CVOZLMQJSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Stigmatella aurantiaca Sg a15 (ncbitaxon:675526) - PubMed (18701458)
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
quinol oxidation site inhibitor  An compound that inhibits quinol oxidation sites.
ChEBI Ontology
Outgoing Relation(s)
stigmatellin A (CHEBI:32155) has role bacterial metabolite (CHEBI:76969)
stigmatellin A (CHEBI:32155) has role quinol oxidation site inhibitor (CHEBI:74352)
stigmatellin A (CHEBI:32155) is a aromatic ether (CHEBI:35618)
stigmatellin A (CHEBI:32155) is a chromones (CHEBI:23238)
stigmatellin A (CHEBI:32155) is a olefinic compound (CHEBI:78840)
stigmatellin A (CHEBI:32155) is a phenols (CHEBI:33853)
IUPAC Name 
2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trien-1-yl]-8-hydroxy-5,7-dimethoxy-3-methyl-4H-chromen-4-one
Synonym  Source
StigmatellinKEGG COMPOUND
Manual XrefsDatabases
C12148KEGG COMPOUND
SMAPDBeChem
StigmatellinWikipedia
CPD0-1686MetaCyc
C00018584KNApSAcK
Registry NumbersSources
Reaxys:8595371Reaxys
CAS:91682-96-1KEGG COMPOUND
CAS:91682-96-1ChemIDplus
Citations