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CHEBI:201108 - UCH9

ChEBI IDCHEBI:201108
ChEBI NameUCH9
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FormulaC55H82O24
Net Charge0
Average Mass1127.237
Monoisotopic Mass1126.51960
SMILESCCC(C)c1c(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)cc2cc3c(c(O)c2c1O)C(=O)C(O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](OC)[C@@H](C)O4)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)C(C(OC)C(=O)C(O)C(C)O)C3
WURCSWURCS=2.0/3,5,4/[ad122m-1b_1-5][ad112m-1b_1-5][ad122m-1b_1-5_4*OC]/1-1-2-3-1/a1n2-b1n1*1O(CCCCCCCCC$6/11C$3/9)CC^XC^XCC^XC^XC/18O/17O/16=O/15OC/14C^XO*2/25C($8/7)O/28=O(/5)O(/4)C^XCC/32C_a3-c1_c3-d1_d3-e1
InChIInChI=1S/C55H82O24/c1-11-20(2)41-32(75-36-15-30(57)45(60)22(4)70-36)14-28-12-27-13-29(54(69-10)52(67)44(59)21(3)56)55(51(66)43(27)50(65)42(28)49(41)64)79-40-18-34(48(63)25(7)73-40)76-38-17-33(47(62)24(6)72-38)77-39-19-35(53(68-9)26(8)74-39)78-37-16-31(58)46(61)23(5)71-37/h12,14,20-26,29-31,33-40,44-48,53-65H,11,13,15-19H2,1-10H3/t20?,21?,22-,23-,24-,25-,26-,29?,30-,31-,33-,34-,35-,36+,37+,38+,39+,40+,44?,45-,46-,47+,48-,53-,54?,55?/m1/s1
InChIKeyMTNZDABNNNQWLZ-IIUMIXKKSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (9589060)
ChEBI Ontology
Outgoing Relation(s)
UCH9 (CHEBI:201108) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
7-butan-2-yl-3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-methoxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-3,4-dihydro-2H-anthracen-1-one
Manual XrefsDatabases
8117239ChemSpider