CHEBI:91541 - LSM-1330

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ChEBI Name LSM-1330
ChEBI ID CHEBI:91541
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H21NO4
Net Charge 0
Average Mass 303.354
Monoisotopic Mass 303.14706
InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3
InChIKey STECJAGHUSJQJN-UHFFFAOYSA-N
SMILES CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing LSM-1330 (CHEBI:91541) is a 3-hydroxy carboxylic acid (CHEBI:61355)
Manual Xref Database
LSM-1330 LINCS
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