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CHEBI:139713 - ascr#8(1-)

ChEBI IDCHEBI:139713
ChEBI Nameascr#8(1-)
Stars
DefinitionConjugate base of ascr#8
Last Modified13 February 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC20H26NO7
Net Charge-1
Average Mass392.428
Monoisotopic Mass392.17148
SMILESC[C@H](CC/C=C/C(=O)Nc1ccc(C(=O)[O-])cc1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C20H27NO7/c1-12(27-20-17(23)11-16(22)13(2)28-20)5-3-4-6-18(24)21-15-9-7-14(8-10-15)19(25)26/h4,6-10,12-13,16-17,20,22-23H,3,5,11H2,1-2H3,(H,21,24)(H,25,26)/p-1/b6-4+/t12-,13+,16-,17-,20-/m1/s1
InChIKeyWMKIQPAVTRWYKZ-XPUFHXNMSA-M
ChEBI Ontology
Outgoing Relation(s)
ascr#8(1-) (CHEBI:139713) is a organic molecular entity (CHEBI:50860)
ascr#8(1-) (CHEBI:139713) is conjugate base of ascr#8 (CHEBI:78834)
Incoming Relation(s)
ascr#8 (CHEBI:78834) is conjugate acid of ascr#8(1-) (CHEBI:139713)