CHEBI:92876 - LSM-3111

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ChEBI Name LSM-3111
ChEBI ID CHEBI:92876
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C44H43N3O9
Net Charge 0
Average Mass 757.829
Monoisotopic Mass 757.29993
InChI InChI=1S/C44H43N3O9/c1-45-18-16-29-23-37(51-3)39-25-33(29)34(45)20-26-6-13-32(14-7-26)54-38-22-27(8-15-36(38)56-44(48)28-9-11-31(12-10-28)47(49)50)21-35-41-30(17-19-46(35)2)24-40(52-4)42(53-5)43(41)55-39/h6-15,22-25,34-35H,16-21H2,1-5H3/t34-,35+/m0/s1
InChIKey PUAVTDKYTXNVBU-OIDHKYIRSA-N
SMILES CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC(=O)C8=CC=C(C=C8)[N+](=O)[O-])OC
ChEBI Ontology
Outgoing LSM-3111 (CHEBI:92876) is a phenylpropanoid (CHEBI:26004)
Manual Xref Database
LSM-3111 LINCS
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