CHEBI:187050 - Stoloniferone J

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 J
ChEBI ID CHEBI:187050
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/c1-15(2)16(3)18-12-19(18)17(4)21-9-10-22-20-13-25(32)29(33)11-7-8-24(31)28(29,6)26(20)23(30)14-27(21,22)5/h7-8,15-23,25-26,30,32-33H,9-14H2,1-6H3/t16-,17-,18-,19-,20+,21-,22+,23-,25-,26-,27-,28-,29+/m1/s1
InChIKey JYZSWLOOMLRWOG-QJOASFLFSA-N
SMILES O[C@H]1[C@]2([C@]([C@]3([C@@]([C@@]([C@@H]([C@@]4([C@](C4)([C@@H](C(C)C)C)[H])[H])C)(CC3)[H])(C1)C)[H])(C[C@@H](O)[C@]5(O)[C@]2(C)C(=O)C=CC5)[H])[H]
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 J (CHEBI:187050) has parent hydride gorgostane (CHEBI:24424)
Stoloniferone J (CHEBI:187050) is a steroid (CHEBI:35341)
IUPAC Name
(5R,6R,8S,9S,10R,11R,13R,14S,17R)-5,6,11-trihydroxy-10,13-dimethyl-17-[(1R)-1-[(1R,2R)-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-1-one
Manual Xrefs Databases
20565218 ChemSpider
LMST01060014 LIPID MAPS
View more database links