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CHEBI:218762 - 3,9,25-Trihydroxy-24-hydroxymethylergosta-7,22-dien-6-one

ChEBI IDCHEBI:218762
ChEBI Name3,9,25-Trihydroxy-24-hydroxymethylergosta-7,22-dien-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O5
Net Charge0
Average Mass460.655
Monoisotopic Mass460.31887
SMILESC[C@H](/C=C/[C@H](CO)C(C)(C)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C
InChIInChI=1S/C28H44O5/c1-17(6-7-18(16-29)25(2,3)32)20-8-9-21-22-15-24(31)23-14-19(30)10-11-27(23,5)28(22,33)13-12-26(20,21)4/h6-7,15,17-21,23,29-30,32-33H,8-14,16H2,1-5H3/b7-6+/t17-,18-,19+,20-,21+,23-,26-,27+,28-/m1/s1
InChIKeyMATNISOMNFTJPH-KWFWYRGISA-N
Species of MetaboliteComponentSourceComments
Flammulina velutipes (ncbitaxon:38945) - PubMed (27684789)
ChEBI Ontology
Outgoing Relation(s)
3,9,25-Trihydroxy-24-hydroxymethylergosta-7,22-dien-6-one (CHEBI:218762) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5S,9S,10S,13R,14R,17R)-3,9-dihydroxy-17-[(E,2R,5R)-6-hydroxy-5-(hydroxymethyl)-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
78439456ChemSpider