CHEBI:185733 - Stoloniferone M

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Stoloniferone M
ChEBI ID CHEBI:185733
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H46O4
Net Charge 0
Average Mass 458.683
Monoisotopic Mass 458.33961
InChI InChI=1S/C29H46O4/c1-14(2)15(3)18-10-19(18)16(4)21-7-8-22-20-11-25-29(33-25)12-17(30)9-24(32)28(29,6)26(20)23(31)13-27(21,22)5/h14-23,25-26,30-31H,7-13H2,1-6H3/t15-,16-,17+,18-,19-,20+,21-,22+,23-,25-,26-,27-,28-,29-/m1/s1
InChIKey NHJWQKUVNWORED-UVOAWXSQSA-N
SMILES O1[C@@]23[C@@]([C@@]4([C@]([C@]5([C@@]([C@](CC5)([C@@H]([C@@]6([C@](C6)([C@@H](C(C)C)C)[H])[H])C)[H])(C[C@H]4O)C)[H])(C[C@@]12[H])[H])[H])(C(=O)C[C@H](O)C3)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Stoloniferone M (CHEBI:185733) has parent hydride gorgostane (CHEBI:24424)
Stoloniferone M (CHEBI:185733) is a steroid (CHEBI:35341)
IUPAC Name
(1S,2R,5R,7S,9R,11S,12S,15R,16R,18R)-5,18-dihydroxy-2,16-dimethyl-15-[(1R)-1-[(1R,2R)-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
Manual Xrefs Databases
20565221 ChemSpider
LMST01060015 LIPID MAPS
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