EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:139845 - bkas#18

Default Structure
ChEBI IDCHEBI:139845
ChEBI Namebkas#18
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC17H30O7
Net Charge0
Average Mass346.420
Monoisotopic Mass346.19915
SMILESC[C@H](CCCCCCC(=O)CC(=O)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=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)/t11-,12+,14-,15-,17-/m1/s1
InChIKeyQPKLZPWSLJHGNI-CSDUCGJJSA-N
ChEBI Ontology
Outgoing Relation(s)
bkas#18 (CHEBI:139845) is a organic molecular entity (CHEBI:50860)