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CHEBI:94529 - (2R,4S)-4-[[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]methyl]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid

ChEBI IDCHEBI:94529
ChEBI Name(2R,4S)-4-[[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]methyl]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid
Stars
Last Modified3 June 2016
DownloadsMolfile
FormulaC27H29NO10
Net Charge0
Average Mass527.526
Monoisotopic Mass527.17915
SMILESCOc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)O)C[C@@H]3C[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
InChIInChI=1S/C27H29NO10/c1-10-21(29)15(28)7-12(38-10)6-11-8-27(36,26(34)35)9-14-17(11)24(32)20-19(23(14)31)22(30)13-4-3-5-16(37-2)18(13)25(20)33/h3-5,10-12,15,21,29,31-32,36H,6-9,28H2,1-2H3,(H,34,35)/t10-,11-,12-,15-,21+,27+/m0/s1
InChIKeyKNAGGICVJBKDDK-XUZKBGJLSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S)-4-[[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]methyl]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid (CHEBI:94529) is a p-quinones (CHEBI:25830)
(2R,4S)-4-[[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]methyl]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid (CHEBI:94529) is a tetracenes (CHEBI:51270)
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