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CHEBI:31055 - 124-1

ChEBI IDCHEBI:31055
ChEBI Name124-1
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC37H44O14
Net Charge0
Average Mass712.745
Monoisotopic Mass712.27311
SMILESC[C@@H]1O[C@@H](O[C@@H]2C[C@H](c3ccc4c(c3O)C(=O)c3cc(O)c5c(c3C4=O)C(=O)C[C@](C)(O)C5)O[C@H](C)[C@H]2O)CC[C@@H]1O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1
WURCSWURCS=2.0/2,2,1/[add21m-1a_1-5_1*OC^RCC^R(CCCCCC$6/9)C(CCCCCC$13/18)C($8/16)O/19=O(/15)CC^RCC($14/7)O/25=O/23C/23O/12=O/5OC^RC^R$3/33O/32C][ad122m-1b_1-5]/1-2/a4-b1
InChIInChI=1S/C37H44O14/c1-14-24(50-28-10-22(39)32(41)15(2)49-28)7-8-27(48-14)51-26-11-25(47-16(3)33(26)42)17-5-6-18-31(34(17)43)36(45)19-9-21(38)20-12-37(4,46)13-23(40)29(20)30(19)35(18)44/h5-6,9,14-16,22,24-28,32-33,38-39,41-43,46H,7-8,10-13H2,1-4H3/t14-,15+,16+,22+,24-,25+,26+,27-,28-,32+,33+,37+/m0/s1
InChIKeyLQZSLYLITYAWSH-PYRLTDJXSA-N
ChEBI Ontology
Outgoing Relation(s)
124-1 (CHEBI:31055) is a oligosaccharide (CHEBI:50699)
Synonym  Source
124-1KEGG COMPOUND
Manual XrefsDatabases
C12409KEGG COMPOUND