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CHEBI:219566 - Altromycin B

ChEBI IDCHEBI:219566
ChEBI NameAltromycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC47H59NO18
Net Charge0
Average Mass925.978
Monoisotopic Mass925.37321
SMILESCOC(=O)C(O)(c1cc2c(c3oc(C4(C)OC4C)cc(=O)c13)C(=O)c1c(ccc([C@@H]3C[C@@](C)(N(C)C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@@H](C)O4)[C@H](C)O3)c1O)C2=O)[C@H]1O[C@@H](C)[C@@H](O)[C@@H](OC)[C@H]1O
InChIInChI=1S/C47H59NO18/c1-18-34(50)27(58-9)16-30(62-18)65-42-20(3)61-28(17-45(42,5)48(7)8)22-12-13-23-31(37(22)53)38(54)32-24(36(23)52)14-25(33-26(49)15-29(64-40(32)33)46(6)21(4)66-46)47(57,44(56)60-11)43-39(55)41(59-10)35(51)19(2)63-43/h12-15,18-21,27-28,30,34-35,39,41-43,50-51,53,55,57H,16-17H2,1-11H3/t18-,19+,20+,21?,27+,28+,30+,34+,35-,39-,41-,42-,43+,45-,46?,47?/m1/s1
InChIKeyFAGGWQMBDCZCOI-CHBSWCIFSA-N
ChEBI Ontology
Outgoing Relation(s)
Altromycin B (CHEBI:219566) is a benzochromenone (CHEBI:64986)
Altromycin B (CHEBI:219566) is a glycoside (CHEBI:24400)
IUPAC Name 
methyl 2-[(2S,3R,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]-2-[10-[(2S,4R,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-4,7,12-trioxonaphtho[2,3-h]chromen-5-yl]-2-hydroxyacetate