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CHEBI:224956 - (7R,9R,10S)-Aklavinone

ChEBI IDCHEBI:224956
ChEBI Name(7R,9R,10S)-Aklavinone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O8
Net Charge0
Average Mass412.394
Monoisotopic Mass412.11582
SMILESCC[C@@]1(O)C[C@@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@@H]1C(=O)OC
InChIInChI=1S/C22H20O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,13,17,23-24,27,29H,3,8H2,1-2H3/t13-,17-,22-/m1/s1
InChIKeyRACGRCLGVYXIAO-NYFKNOIKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1007/s11274-008-9787-2)
ChEBI Ontology
Outgoing Relation(s)
(7R,9R,10S)-Aklavinone (CHEBI:224956) is a quinone (CHEBI:36141)
(7R,9R,10S)-Aklavinone (CHEBI:224956) is a tetracenes (CHEBI:51270)
IUPAC Name 
methyl (1S,2R,4R)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
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78443590ChemSpider