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CHEBI:169017 - 24-northornasterol A

ChEBI IDCHEBI:169017
ChEBI Name24-northornasterol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O4
Net Charge0
Average Mass418.618
Monoisotopic Mass418.30831
SMILES[H][C@]1([C@@](C)(O)CC(=O)C(C)C)CC[C@]2([H])[C@]1(C)CC=C1[C@@]2([H])C[C@H](O)[C@@]2([H])C[C@@H](O)CC[C@]12C
InChIInChI=1S/C26H42O4/c1-15(2)22(29)14-26(5,30)23-7-6-18-17-13-21(28)20-12-16(27)8-10-24(20,3)19(17)9-11-25(18,23)4/h9,15-18,20-21,23,27-28,30H,6-8,10-14H2,1-5H3/t16-,17-,18-,20+,21-,23-,24+,25-,26-/m0/s1
InChIKeyYYSZRBSSGDXVTR-OWTHIMASSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
24-northornasterol A (CHEBI:169017) is a bile acid (CHEBI:3098)
IUPAC Name 
(5S)-5-[(3S,5S,6S,8S,10S,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-2-methylhexan-3-one
Manual XrefsDatabases
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