CHEBI:139897 - bkos#1(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 bkos#1(1-)
ChEBI ID CHEBI:139897
Definition Conjugate base of bkos#1
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C13H21O7
Net Charge -1
Average Mass 289.302
Monoisotopic Mass 289.12928
InChI InChI=1S/C13H22O7/c1-8-10(15)7-11(16)13(20-8)19-5-3-2-4-9(14)6-12(17)18/h8,10-11,13,15-16H,2-7H2,1H3,(H,17,18)/p-1/t8-,10+,11+,13+/m0/s1
InChIKey WYDXDFMJTTYATA-BQKRADJCSA-M
SMILES C[C@@H]1O[C@@H](OCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing bkos#1(1-) (CHEBI:139897) is a organic molecular entity (CHEBI:50860)