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CHEBI:199096 - Kigamicin E

ChEBI IDCHEBI:199096
ChEBI NameKigamicin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H71NO22
Net Charge0
Average Mass1098.158
Monoisotopic Mass1097.44677
SMILESCOC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC(OC5CC(O)c6c(oc7c8c9c(c(O)c7c6=O)-c6c(cc7c(c6O)C(=O)N6CCOC6(C)C7)CC9OCO8)C5O)OC4C)CC3OC)CC2OC)OC(C)C1O
WURCSWURCS=2.0/2,4,3/[addxxm-1x_1-5_1*OC^XC^X(CCCCCCCCCCCC$11/10CCC$8/19O$5/18)OCOC^X($17/16)C$24(/14)CC^XNC($13/12)O/29=O/28CCO$27/27C(/9)O(/7)=O(/6)C^XC$3/38O/4O][adxxxm-1x_1-5_3*OC]/1-2-2-2/a4-b1_b4-c1_c4-d1
InChIInChI=1S/C55H71NO22/c1-21-28(74-35-17-32(65-7)49(23(3)72-35)77-37-18-33(66-8)50(24(4)73-37)76-36-16-30(64-6)44(58)22(2)71-36)9-10-34(70-21)75-31-15-27(57)40-47(61)43-48(62)42-38-25(13-26-19-55(5)56(11-12-69-55)54(63)39(26)46(38)60)14-29-41(42)52(68-20-67-29)53(43)78-51(40)45(31)59/h13,21-24,27-37,44-45,49-50,57-60,62H,9-12,14-20H2,1-8H3
InChIKeyHSNNYVGQDKCUKD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (15015727)
ChEBI Ontology
Outgoing Relation(s)
Kigamicin E (CHEBI:199096) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
2,6,9,30-tetrahydroxy-8-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-23-methyl-11,14,16,24-tetraoxa-27-azaoctacyclo[15.14.1.03,12.05,10.013,32.019,31.021,29.023,27]dotriaconta-1(32),2,5(10),12,19,21(29),30-heptaene-4,28-dione
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8232579ChemSpider