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CHEBI:200020 - Mathemycin B

ChEBI IDCHEBI:200020
ChEBI NameMathemycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC77H142N2O29
Net Charge0
Average Mass1559.968
Monoisotopic Mass1558.96983
SMILESCC1=CC(C)C(O)C(C)=CC(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(OC2OC(C)C(O)C(N)C2O)C(C)C(C(C)CC(C)CCCCCCN)OC(=O)CCC(C)C(O)CCC=CC(C)C1O
InChIInChI=1S/C77H142N2O29/c1-36(19-15-13-14-18-24-78)25-42(7)73-46(11)57(103-75-69(98)62(79)66(95)47(12)102-75)33-50(84)32-55(89)44(9)53(87)29-48(82)28-52(86)43(8)54(88)30-49(83)31-56(90)45(10)65(94)58(104-77-72(101)74(68(97)60(35-81)106-77)108-76-71(100)70(99)67(96)59(34-80)105-76)27-41(6)64(93)40(5)26-39(4)63(92)38(3)20-16-17-21-51(85)37(2)22-23-61(91)107-73/h16,20,26-27,36-38,40,42-60,62-77,80-90,92-101H,13-15,17-19,21-25,28-35,78-79H2,1-12H3
InChIKeyLNARHTBARTYDAD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (10395510)
ChEBI Ontology
Outgoing Relation(s)
Mathemycin B (CHEBI:200020) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
38-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-40-(10-amino-4-methyldecan-2-yl)-19-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,12,16,20,22,24,26,28,30,32,34,36-dodecahydroxy-5,11,13,15,17,21,27,33,39-nonamethyl-1-oxacyclotetraconta-9,13,17-trien-2-one