EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219559 - Altromycin A

ChEBI IDCHEBI:219559
ChEBI NameAltromycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H57NO18
Net Charge0
Average Mass911.951
Monoisotopic Mass911.35756
SMILESCNC1(C)CC(c2ccc3c(c2O)C(=O)c2c(cc(C(O)(C(=O)OC)C4OC(C)C(O)C(OC)C4O)c4c(=O)cc(C5(C)OC5C)oc24)C3=O)OC(C)C1OC1CC(OC)C(O)C(C)O1
InChIInChI=1S/C46H57NO18/c1-17-33(49)26(57-8)15-29(61-17)64-41-19(3)60-27(16-44(41,5)47-7)21-11-12-22-30(36(21)52)37(53)31-23(35(22)51)13-24(32-25(48)14-28(63-39(31)32)45(6)20(4)65-45)46(56,43(55)59-10)42-38(54)40(58-9)34(50)18(2)62-42/h11-14,17-20,26-27,29,33-34,38,40-42,47,49-50,52,54,56H,15-16H2,1-10H3
InChIKeyRQNWQOXKBDZHHK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Altromycin A (CHEBI:219559) is a benzochromenone (CHEBI:64986)
Altromycin A (CHEBI:219559) is a glycoside (CHEBI:24400)
IUPAC Name 
methyl 2-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)-2-[2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-10-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyl-4-(methylamino)oxan-2-yl]-4,7,12-trioxonaphtho[2,3-h]chromen-5-yl]-2-hydroxyacetate