CHEBI:139713 - ascr#8(1-)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name ascr#8(1-)
ChEBI ID CHEBI:139713
Definition Conjugate base of ascr#8
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C20H26NO7
Net Charge -1
Average Mass 392.424
Monoisotopic Mass 392.17148
InChI InChI=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
InChIKey WMKIQPAVTRWYKZ-XPUFHXNMSA-M
SMILES C[C@H](CC/C=C/C(=O)NC1=CC=C(C=C1)C([O-])=O)O[C@@H]2O[C@@H](C)[C@H](O)C[C@H]2O
ChEBI Ontology
Outgoing 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 ascr#8 (CHEBI:78834) is conjugate acid of ascr#8(1-) (CHEBI:139713)
Last Modified
13 February 2018