CHEBI:108590 - (1R,2R,4S)-2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester

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ChEBI Name (1R,2R,4S)-2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester
ChEBI ID CHEBI:108590
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H20O9
Net Charge 0
Average Mass 428.390
Monoisotopic Mass 428.11073
InChI InChI=1S/C22H20O9/c1-3-22(30)7-12(25)13-8(17(22)21(29)31-2)6-9-14(19(13)27)20(28)16-11(24)5-4-10(23)15(16)18(9)26/h4-6,12,17,23-25,27,30H,3,7H2,1-2H3/t12-,17-,22+/m0/s1
InChIKey RWCVSDKDFSVZNF-KRYGIPSASA-N
SMILES CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O
ChEBI Ontology
Outgoing (1R,2R,4S)-2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester (CHEBI:108590) is a p-quinones (CHEBI:25830)
(1R,2R,4S)-2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester (CHEBI:108590) is a tetracenes (CHEBI:51270)
Manual Xref Database
LSM-19968 LINCS
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Last Modified
03 June 2016