CHEBI:91762 - LSM-1645

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ChEBI Name LSM-1645
ChEBI ID CHEBI:91762
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H27NO4
Net Charge 0
Average Mass 429.509
Monoisotopic Mass 429.19401
InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/t21?,25-,26-,27+/m0/s1
InChIKey WXOUFNFMPVMGFZ-SSNGLDLMSA-N
SMILES C1CC1CN2CC[C@]34[C@@H]5C(=O)C(=CC6=CC=CC=C6)C[C@]3(C2CC7=C4C(=C(C=C7)O)O5)O
Roles Classification
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
(via phenanthrenes )
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ChEBI Ontology
Outgoing LSM-1645 (CHEBI:91762) is a phenanthrenes (CHEBI:25961)
Manual Xref Database
LSM-1645 LINCS
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