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CHEBI:94393 - LSM-5073

Default Structure
ChEBI IDCHEBI:94393
ChEBI NameLSM-5073
Stars
DownloadsMolfile
FormulaC28H38O6
Net Charge0
Average Mass470.606
Monoisotopic Mass470.26684
SMILESCC1=C(CO)C(=O)O[C@H](C(C)[C@H]2CC[C@@H]3[C@H]4C[C@H]5O[C@@]56[C@@H](O)C=CC(=O)[C@@]6(C)C4CC[C@@]23C)C1
InChIInChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15?,16-,18-,19-,20?,21+,23+,24-,26+,27-,28+/m1/s1
InChIKeyDBRXOUCRJQVYJQ-MZNHJNIISA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
LSM-5073 (CHEBI:94393) is a withanolide (CHEBI:74716)
Manual XrefsDatabases
LSM-5073LINCS