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CHEBI:167002 - komodoquinone B

ChEBI IDCHEBI:167002
ChEBI Namekomodoquinone B
Stars
DefinitionA member of the class of tetracenequinones that is 7,8,9,10-tetrahydrotetracene-5,12-dione carrying hydroxy groups at positions 1, 6, 8S, 10S and 11 and a methyl group at position 8S. It is the aglycone of komodoquinone A which was isolated from the marine bacterium Streptomyces sp. KS3.
Last Modified29 April 2021
SubmitterMartin Larralde
DownloadsMolfile
FormulaC19H16O7
Net Charge0
Average Mass356.330
Monoisotopic Mass356.08960
SMILESC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C19H16O7/c1-19(26)5-8-12(10(21)6-19)18(25)14-13(16(8)23)15(22)7-3-2-4-9(20)11(7)17(14)24/h2-4,10,20-21,23,25-26H,5-6H2,1H3/t10-,19-/m0/s1
InChIKeySFRTWZQYMRMOOJ-OVWNDWIMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) - PubMed (14646317) Strain: KS3
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
komodoquinone B (CHEBI:167002) has role bacterial metabolite (CHEBI:76969)
komodoquinone B (CHEBI:167002) has role marine metabolite (CHEBI:76507)
komodoquinone B (CHEBI:167002) is a p-quinones (CHEBI:25830)
komodoquinone B (CHEBI:167002) is a carbopolycyclic compound (CHEBI:35294)
komodoquinone B (CHEBI:167002) is a diketone (CHEBI:46640)
komodoquinone B (CHEBI:167002) is a pentol (CHEBI:37205)
komodoquinone B (CHEBI:167002) is a tertiary alcohol (CHEBI:26878)
komodoquinone B (CHEBI:167002) is a tetracenequinones (CHEBI:51286)
Incoming Relation(s)
komodoquinone A (CHEBI:167003) has functional parent komodoquinone B (CHEBI:167002)
IUPAC Name 
(8S,10S)-1,6,8,10,11-pentahydroxy-8-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione
Synonyms  Source
(8S,10S)-1,6,8,10,11-Pentahydroxy-8-methyl-7,8,9,10-tetrahydro-5,12-tetracendionIUPAC
komodoquinone A aglyconeSUBMITTER
(+)-komodoquinone BKNApSAcK
Manual XrefsDatabases
JP2005080616Patent
C00031957KNApSAcK
Registry NumbersSources
CAS:630094-58-5KNApSAcK
Citations