CHEBI:140799 - hbas#3(1-)

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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 hbas#3(1-)
ChEBI ID CHEBI:140799
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C22H29O8
Net Charge -1
Average Mass 421.462
Monoisotopic Mass 421.18679
InChI InChI=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
InChIKey BJUWUCQZCXGYNI-NJABCCJWSA-M
SMILES C[C@H](CCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C2=CC=C(O)C=C2
ChEBI Ontology
Outgoing hbas#3(1-) (CHEBI:140799) is a organic molecular entity (CHEBI:50860)