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CHEBI:222836 - Oxanthromicin

ChEBI IDCHEBI:222836
ChEBI NameOxanthromicin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H30O12
Net Charge0
Average Mass654.624
Monoisotopic Mass654.17373
SMILESCc1ccc2c(c1O)C(=O)c1c(cc(O)c(C(=O)O)c1C)[C@]2(C)OO[C@@]1(C)c2cc(O)c(C(=O)O)c(C)c2C(=O)c2c1ccc(C)c2O
InChIInChI=1S/C36H30O12/c1-13-7-9-17-27(29(13)39)31(41)23-15(3)25(33(43)44)21(37)11-19(23)35(17,5)47-48-36(6)18-10-8-14(2)30(40)28(18)32(42)24-16(4)26(34(45)46)22(38)12-20(24)36/h7-12,37-40H,1-6H3,(H,43,44)(H,45,46)/t35-,36-/m1/s1
InChIKeyIEVJARSTOGQGJT-LQFQNGICSA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - DOI (10.1039/C39840000473)
ChEBI Ontology
Outgoing Relation(s)
Oxanthromicin (CHEBI:222836) is a anthracenes (CHEBI:46955)
IUPAC Name 
(10S)-10-[(9S)-3-carboxy-2,5-dihydroxy-4,6,9-trimethyl-10-oxoanthracen-9-yl]peroxy-3,8-dihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid
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