CHEBI:139864 - bkas#26

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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#26
ChEBI ID CHEBI:139864
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C21H38O7
Net Charge 0
Average Mass 402.523
Monoisotopic Mass 402.26175
InChI InChI=1S/C21H38O7/c1-15(27-21-19(24)14-18(23)16(2)28-21)11-9-7-5-3-4-6-8-10-12-17(22)13-20(25)26/h15-16,18-19,21,23-24H,3-14H2,1-2H3,(H,25,26)/t15-,16+,18-,19-,21-/m1/s1
InChIKey MQUSJLFIKPWUQJ-BKRRIZPZSA-N
SMILES C[C@H](CCCCCCCCCCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing bkas#26 (CHEBI:139864) is a organic molecular entity (CHEBI:50860)