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CHEBI:166813 - Secosterol-B

ChEBI IDCHEBI:166813
ChEBI NameSecosterol-B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O3
Net Charge0
Average Mass418.662
Monoisotopic Mass418.34470
SMILES[H][C@]1([C@H](C)CCCC(C)C)CCC2C3C(C=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)20-9-10-21-24-22(12-13-25(20,21)4)26(5)14-11-19(29)15-27(26,30)23(24)16-28/h16-24,29-30H,6-15H2,1-5H3/t18-,19+,20-,21?,22?,23?,24?,25-,26-,27-/m1/s1
InChIKeyXILGKUFKDWNZBF-ZGKXBFEHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Secosterol-B (CHEBI:166813) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3R,3aR,5bR,8S,9aR,10R)-8,9a-dihydroxy-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclopenta[a]luorene-10-carbaldehyde
Manual XrefsDatabases
24823262ChemSpider
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