EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:139722 - bhas#12

Default Structure
ChEBI IDCHEBI:139722
ChEBI Namebhas#12
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC12H22O7
Net Charge0
Average Mass278.301
Monoisotopic Mass278.13655
SMILESC[C@H](C[C@@H](O)CC(=O)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C12H22O7/c1-6(3-8(13)4-11(16)17)18-12-10(15)5-9(14)7(2)19-12/h6-10,12-15H,3-5H2,1-2H3,(H,16,17)/t6-,7+,8-,9-,10-,12-/m1/s1
InChIKeyZWVCIFMJGVSXAP-BVTIPKRDSA-N
ChEBI Ontology
Outgoing Relation(s)
bhas#12 (CHEBI:139722) is a organic molecular entity (CHEBI:50860)