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CHEBI:140803 - icas#7(1-)

Default Structure
ChEBI IDCHEBI:140803
ChEBI Nameicas#7(1-)
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC22H26NO7
Net Charge-1
Average Mass416.450
Monoisotopic Mass416.17148
SMILESC[C@H](CC/C=C/C(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](OC(=O)c2cnc3ccccc23)C[C@H]1O
InChIInChI=1S/C22H27NO7/c1-13(7-3-6-10-20(25)26)28-22-18(24)11-19(14(2)29-22)30-21(27)16-12-23-17-9-5-4-8-15(16)17/h4-6,8-10,12-14,18-19,22-24H,3,7,11H2,1-2H3,(H,25,26)/p-1/b10-6+/t13-,14+,18-,19-,22-/m1/s1
InChIKeyOVHQEHRYORHTRQ-KXXILVSQSA-M
ChEBI Ontology
Outgoing Relation(s)
icas#7(1-) (CHEBI:140803) is a organic molecular entity (CHEBI:50860)