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CHEBI:219426 - Altromycin E

Default Structure
ChEBI IDCHEBI:219426
ChEBI NameAltromycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H55NO18
Net Charge0
Average Mass897.924
Monoisotopic Mass897.34191
SMILESCOC(=O)C(O)(c1cc2c(c3oc(C4(C)OC4C)cc(=O)c13)C(=O)c1c(ccc([C@H]3C[C@](C)(N)[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/C45H55NO18/c1-16-32(48)25(56-7)14-28(60-16)63-40-18(3)59-26(15-43(40,5)46)20-10-11-21-29(35(20)51)36(52)30-22(34(21)50)12-23(31-24(47)13-27(62-38(30)31)44(6)19(4)64-44)45(55,42(54)58-9)41-37(53)39(57-8)33(49)17(2)61-41/h10-13,16-19,25-26,28,32-33,37,39-41,48-49,51,53,55H,14-15,46H2,1-9H3/t16-,17-,18+,19?,25+,26-,28-,32-,33-,37+,39-,40-,41+,43+,44?,45?/m1/s1
InChIKeyHUERDIYXSZKKMF-WAAXAXADSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (7961167)
ChEBI Ontology
Outgoing Relation(s)
Altromycin E (CHEBI:219426) is a benzochromenone (CHEBI:64986)
Altromycin E (CHEBI:219426) is a glycoside (CHEBI:24400)
IUPAC Name 
methyl 2-[10-[(2R,4S,5S,6S)-4-amino-5-[(2R,4S,5R,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-[(2S,3S,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]-2-hydroxyacetate
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8548953ChemSpider