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CHEBI:212094 - 10beta-carbomethoxy-7,8,9,10-tetrahydro-4,6,7alpha,9alpha,11-pentahydroxy-9-propyltetracene-5,12-dione

Default Structure
ChEBI IDCHEBI:212094
ChEBI Name10beta-carbomethoxy-7,8,9,10-tetrahydro-4,6,7alpha,9alpha,11-pentahydroxy-9-propyltetracene-5,12-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O9
Net Charge0
Average Mass442.420
Monoisotopic Mass442.12638
SMILESCCC[C@]1(O)C[C@@H](O)c2c(O)c3c(c(O)c2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C23H22O9/c1-3-7-23(31)8-11(25)13-14(17(23)22(30)32-2)21(29)15-16(20(13)28)19(27)12-9(18(15)26)5-4-6-10(12)24/h4-6,11,17,24-25,28-29,31H,3,7-8H2,1-2H3/t11-,17-,23+/m1/s1
InChIKeyRBVRMUUHLBHOCG-WEDCLBQXSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies (ncbitaxon:1876) - PubMed (22250891)
ChEBI Ontology
Outgoing Relation(s)
10beta-carbomethoxy-7,8,9,10-tetrahydro-4,6,7alpha,9alpha,11-pentahydroxy-9-propyltetracene-5,12-dione (CHEBI:212094) is a quinone (CHEBI:36141)
10beta-carbomethoxy-7,8,9,10-tetrahydro-4,6,7alpha,9alpha,11-pentahydroxy-9-propyltetracene-5,12-dione (CHEBI:212094) is a tetracenes (CHEBI:51270)
IUPAC Name 
methyl (1S,2S,4R)-2,4,5,7,12-pentahydroxy-6,11-dioxo-2-propyl-3,4-dihydro-1H-tetracene-1-carboxylate
Manual XrefsDatabases
78442771ChemSpider