CHEBI:139846 - bkas#18(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#18(1-)
ChEBI ID CHEBI:139846
Definition Conjugate base of bkas#18
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C17H29O7
Net Charge -1
Average Mass 345.409
Monoisotopic Mass 345.19188
InChI InChI=1S/C17H30O7/c1-11(23-17-15(20)10-14(19)12(2)24-17)7-5-3-4-6-8-13(18)9-16(21)22/h11-12,14-15,17,19-20H,3-10H2,1-2H3,(H,21,22)/p-1/t11-,12+,14-,15-,17-/m1/s1
InChIKey QPKLZPWSLJHGNI-CSDUCGJJSA-M
SMILES C[C@H](CCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing bkas#18(1-) (CHEBI:139846) is a organic molecular entity (CHEBI:50860)