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CHEBI:215054 - 3-methoxy oxanthromicin

ChEBI IDCHEBI:215054
ChEBI Name3-methoxy oxanthromicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H32O12
Net Charge0
Average Mass668.651
Monoisotopic Mass668.18938
SMILESCOc1cc2c(c(C)c1C(=O)O)C(=O)c1c(ccc(C)c1O)[C@@]2(C)OO[C@@]1(C)c2cc(O)c(C(=O)O)c(C)c2C(=O)c2c1ccc(C)c2O
InChIInChI=1S/C37H32O12/c1-14-8-10-18-28(30(14)39)32(41)24-16(3)26(34(43)44)22(38)12-20(24)36(18,5)48-49-37(6)19-11-9-15(2)31(40)29(19)33(42)25-17(4)27(35(45)46)23(47-7)13-21(25)37/h8-13,38-40H,1-7H3,(H,43,44)(H,45,46)/t36-,37-/m1/s1
InChIKeyFFAZBZYYFKLRGJ-FZNHDDJXSA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - DOI (10.1016/j.phytol.2018.04.002)
ChEBI Ontology
Outgoing Relation(s)
3-methoxy oxanthromicin (CHEBI:215054) is a anthracenes (CHEBI:46955)
IUPAC Name 
(10S)-10-[(9S)-3-carboxy-5-hydroxy-2-methoxy-4,6,9-trimethyl-10-oxoanthracen-9-yl]peroxy-3,8-dihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid