CHEBI:224430 - 11-O-demethyl-6-deoxypradinone I

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 11-O-demethyl-6-deoxypradinone I
ChEBI ID CHEBI:224430
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H16O9
Net Charge 0
Average Mass 448.383
Monoisotopic Mass 448.07943
InChI InChI=1S/C24H16O9/c1-7-2-10-13(26)4-8-3-11-19(23(31)16(8)18(10)22(30)15(7)24(32)33)21(29)12-5-9(25)6-14(27)17(12)20(11)28/h2-3,5-6,13,25-27,30-31H,4H2,1H3,(H,32,33)/t13-/m1/s1
InChIKey SZJZDCLDKZECMR-CYBMUJFWSA-N
SMILES O=C1C2=C(O)C=3C4=C(O)C(=C(C)C=C4[C@H](O)CC3C=C2C(=O)C5=C1C=C(O)C=C5O)C(=O)O
Metabolite of Species Details
Actinomadura (NCBI:txid1988) See: PubMed
ChEBI Ontology
Outgoing 11-O-demethyl-6-deoxypradinone I (CHEBI:224430) is a quinone (CHEBI:36141)
11-O-demethyl-6-deoxypradinone I (CHEBI:224430) is a tetracenes (CHEBI:51270)
IUPAC Name
(5R)-1,5,9,11,14-pentahydroxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
Manual Xref Database
8202228 ChemSpider
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