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CHEBI:140799 - hbas#3(1-)

Default Structure
ChEBI IDCHEBI:140799
ChEBI Namehbas#3(1-)
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC22H29O8
Net Charge-1
Average Mass421.466
Monoisotopic Mass421.18679
SMILESC[C@H](CCCC/C=C/C(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](OC(=O)c2ccc(O)cc2)C[C@H]1O
InChIInChI=1S/C22H30O8/c1-14(7-5-3-4-6-8-20(25)26)28-22-18(24)13-19(15(2)29-22)30-21(27)16-9-11-17(23)12-10-16/h6,8-12,14-15,18-19,22-24H,3-5,7,13H2,1-2H3,(H,25,26)/p-1/b8-6+/t14-,15+,18-,19-,22-/m1/s1
InChIKeyBJUWUCQZCXGYNI-NJABCCJWSA-M
ChEBI Ontology
Outgoing Relation(s)
hbas#3(1-) (CHEBI:140799) is a organic molecular entity (CHEBI:50860)