CHEBI:93737 - LSM-4236

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ChEBI Name LSM-4236
ChEBI ID CHEBI:93737
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H25NO6
Net Charge 0
Average Mass 399.438
Monoisotopic Mass 399.16819
InChI InChI=1S/C22H25NO6/c1-10(24)23-13-7-6-11-8-15(27-3)21(28-4)22(29-5)16(11)17-12-9-14(26-2)20(25)18(12)19(13)17/h8-9,12-13,18H,6-7H2,1-5H3,(H,23,24)/t12-,13+,18-/m1/s1
InChIKey VKPVZFOUXUQJMW-FHSNZYRGSA-N
SMILES CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1[C@H]4[C@@H]3C=C(C4=O)OC)OC)OC)OC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing LSM-4236 (CHEBI:93737) is a acetamides (CHEBI:22160)
LSM-4236 (CHEBI:93737) is a alkaloid (CHEBI:22315)
LSM-4236 (CHEBI:93737) is a carbotricyclic compound (CHEBI:38032)
Manual Xref Database
LSM-4236 LINCS
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