CHEBI:94393 - LSM-5073

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ChEBI Name LSM-5073
ChEBI ID CHEBI:94393
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H38O6
Net Charge 0
Average Mass 470.599
Monoisotopic Mass 470.26684
InChI InChI=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
InChIKey DBRXOUCRJQVYJQ-MZNHJNIISA-N
SMILES CC1=C(C(=O)O[C@@H](C1)C(C)[C@H]2CC[C@H]3[C@]2(CCC4[C@@H]3C[C@@H]5[C@@]6([C@]4(C(=O)C=C[C@@H]6O)C)O5)C)CO
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via withanolide )
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ChEBI Ontology
Outgoing LSM-5073 (CHEBI:94393) is a withanolide (CHEBI:74716)
Manual Xref Database
LSM-5073 LINCS
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