CHEBI:139936 - bkos#28

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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#28
ChEBI ID CHEBI:139936
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C22H40O7
Net Charge 0
Average Mass 416.550
Monoisotopic Mass 416.27740
InChI InChI=1S/C22H40O7/c1-17-19(24)16-20(25)22(29-17)28-14-12-10-8-6-4-2-3-5-7-9-11-13-18(23)15-21(26)27/h17,19-20,22,24-25H,2-16H2,1H3,(H,26,27)/t17-,19+,20+,22+/m0/s1
InChIKey ROKPPLKXJYFRQP-RJJVWVDVSA-N
SMILES C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing bkos#28 (CHEBI:139936) is a organic molecular entity (CHEBI:50860)