CHEBI:94368 - LSM-5035

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ChEBI Name LSM-5035
ChEBI ID CHEBI:94368
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C41H44N4O8
Net Charge 0
Average Mass 720.812
Monoisotopic Mass 720.31591
InChI InChI=1S/C41H44N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h9-10,13,17-19,38,42-43,45H,1,11-12,14-16H2,2-8H3,(H,46,47)/t38?,41-/m1/s1
InChIKey CCHAFFIHHPEEAJ-MIJGTKDRSA-N
SMILES CC1=C2CC3=C(C(=C(N3)C=C4C5=CC=C(C([C@]5(C(=CC6=NC(=CC(=C1CCC(=O)O)N2)C(=C6C)CCC(=O)OC)N4)C)C(=O)OC)C(=O)OC)C)C=C
ChEBI Ontology
Outgoing LSM-5035 (CHEBI:94368) is a tetrapyrrole (CHEBI:26932)
Manual Xref Database
LSM-5035 LINCS
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