CHEBI:139852 - bkas#20(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 bkas#20(1-)
ChEBI ID CHEBI:139852
Definition Conjugate base of bkas#20
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C18H31O7
Net Charge -1
Average Mass 359.435
Monoisotopic Mass 359.20753
InChI InChI=1S/C18H32O7/c1-12(24-18-16(21)11-15(20)13(2)25-18)8-6-4-3-5-7-9-14(19)10-17(22)23/h12-13,15-16,18,20-21H,3-11H2,1-2H3,(H,22,23)/p-1/t12-,13+,15-,16-,18-/m1/s1
InChIKey IRSPDSMWRKYLPC-HYUSYPKPSA-M
SMILES C[C@H](CCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing bkas#20(1-) (CHEBI:139852) is a organic molecular entity (CHEBI:50860)