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CHEBI:41750 - CARBOXYATRACTYLOSIDE

Default Structure
ChEBI IDCHEBI:41750
ChEBI NameCARBOXYATRACTYLOSIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC31H46O18S2
Net Charge0
Average Mass770.825
Monoisotopic Mass770.21256
SMILES[H]OC(=O)C1(C(=O)O[H])C([H])([H])[C@@]([H])(O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(OS(=O)(=O)O[H])[C@]([H])(OS(=O)(=O)O[H])[C@@]2([H])OC(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]2(C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@]13C([H])([H])[C@]([H])(C(=C([H])[H])[C@]1([H])O[H])C([H])([H])C([H])([H])[C@@]23[H]
InChIInChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18-,19+,20+,22-,23+,24-,25+,26+,29+,30-/m1/s1
InChIKeyAQFATIOBERWBDY-LIGJTEMZSA-N
ChEBI Ontology
Outgoing Relation(s)
CARBOXYATRACTYLOSIDE (CHEBI:41750) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2alpha,8alpha,9beta,10alpha,13alpha,15beta)-15-hydroxy-2-{[2-O-(3-methylbutanoyl)-3,4-di-O-sulfo-alpha-D-glucopyranosyl]oxy}kaur-16-ene-18,19-dioic acidPDBeChem
CARBOXYATRACTYLOSIDEPDBeChem
Manual XrefsDatabases
CXTPDBeChem