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CHEBI:224829 - Demethylolivomycin B

ChEBI IDCHEBI:224829
ChEBI NameDemethylolivomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H78O26
Net Charge0
Average Mass1155.203
Monoisotopic Mass1154.47813
SMILESCOC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(OC(C)=O)C(C)O4)cc(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(C)=O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1
WURCSWURCS=2.0/3,5,4/[adxxxm-1x_1-5][adxxxm-1x_1-5_4*OCC/3=O][adXxxm-1x_1-5_3*C_4*OCC/3=O]/1-2-1-1-3/a1n2-b1n1*1O(CCCCCCCC$5/6CC$3/11)O(/9)CC^XC^XCC^XC^XC/19O/18O/17=O/16OC/15C^XO*2/26C($8/7)O/29=O_a3-d1_b3-c1_d3-e1
InChIInChI=1S/C55H78O26/c1-20(56)44(61)50(67)52(69-10)31-13-29-11-28-12-30(77-38-18-36(51(24(5)73-38)75-26(7)57)80-37-15-33(60)45(62)21(2)70-37)14-32(59)42(28)48(65)43(29)49(66)53(31)81-40-17-34(46(63)23(4)72-40)78-39-16-35(47(64)22(3)71-39)79-41-19-55(9,68)54(25(6)74-41)76-27(8)58/h11-12,14,20-25,31,33-41,44-47,51-54,56,59-65,68H,13,15-19H2,1-10H3
InChIKeyOWKNXUZSQLJLDM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3346192)
ChEBI Ontology
Outgoing Relation(s)
Demethylolivomycin B (CHEBI:224829) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
[6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate
Manual XrefsDatabases
2339179ChemSpider