CHEBI:173170 - Stoloniferone B

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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 B
ChEBI ID CHEBI:173170
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H42O3
Net Charge 0
Average Mass 426.641
Monoisotopic Mass 426.31340
InChI InChI=1S/C28H42O3/c1-16(2)17(3)9-10-18(4)20-11-12-21-19-14-24-28(31-24)13-7-8-23(30)27(28,6)25(19)22(29)15-26(20,21)5/h7-10,16-22,24-25,29H,11-15H2,1-6H3/b10-9+/t17-,18+,19-,20+,21-,22+,24+,25+,26+,27+,28+/m0/s1
InChIKey YSRHZXLRKUQZHV-BLGPIUHFSA-N
SMILES O1[C@@]23[C@]([C@@]4([C@]([C@]5([C@](C[C@H]4O)([C@](CC5)([C@H](C)/C=C/[C@@H](C(C)C)C)[H])C)[H])(C[C@@]12[H])[H])[H])(C)C(=O)C=CC3
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Stoloniferone B (CHEBI:173170) is a ergostanoid (CHEBI:50403)
IUPAC Name
(1S,2R,7S,9R,11S,12S,15R,16R,18R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-18-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Manual Xrefs Databases
10286601 ChemSpider
LMST01031072 LIPID MAPS
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