CHEBI:91870 - LSM-1797

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ChEBI Name LSM-1797
ChEBI ID CHEBI:91870
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C46H56N4O10
Net Charge 0
Average Mass 824.959
Monoisotopic Mass 824.39964
InChI InChI=1S/C46H56N4O10/c1-7-42(55)22-27-23-45(40(53)59-5,36-29(14-18-48(24-27)25-42)28-12-9-10-13-32(28)47-36)31-20-30-33(21-34(31)57-3)50(26-51)39-44(30)16-19-49-17-11-15-43(8-2,38(44)49)35(37(52)58-4)46(39,56)41(54)60-6/h9-13,15,20-21,26-27,35,38-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3
InChIKey KUSGVVPSWLLOSB-UHFFFAOYSA-N
SMILES CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)C(=O)OC)CC)OC)C(=O)OC)O
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 )
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ChEBI Ontology
Outgoing LSM-1797 (CHEBI:91870) is a vinca alkaloid (CHEBI:27288)
Manual Xref Database
LSM-1797 LINCS
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