CHEBI:31438 - Cromoglicate lisetil

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ChEBI Name Cromoglicate lisetil
ChEBI ID CHEBI:31438
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C33H36N2O12
C33H36N2O12
Net Charge 0
Average Mass 652.646
Monoisotopic Mass 652.22682
InChI InChI=1S/C33H36N2O12/c1-3-41-32(39)27-15-21(36)29-23(10-7-12-25(29)46-27)43-17-19(45-31(38)20(35)9-5-6-14-34)18-44-24-11-8-13-26-30(24)22(37)16-28(47-26)33(40)42-4-2/h7-8,10-13,15-16,19-20H,3-6,9,14,17-18,34-35H2,1-2H3/t20-/m0/s1
InChIKey NGJJDHCBOKNREV-FQEVSTJZSA-N
SMILES C12=C(OC(=CC1=O)C(OCC)=O)C=CC=C2OCC(COC=3C4=C(OC(C(=O)OCC)=CC4=O)C=CC3)OC([C@H](CCCCN)N)=O
ChEBI Ontology
Outgoing Cromoglicate lisetil (CHEBI:31438) is a α-amino acid ester (CHEBI:46874)
Synonym Source
Cromoglicate lisetil KEGG COMPOUND
Manual Xref Database
D02589 KEGG DRUG
View more database links
Registry Number Type Source
110816-79-0 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017