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CHEBI:203546 - 3beta,5alpha-dihydroxy-6beta-methoxyergosta-7,22-diene

ChEBI IDCHEBI:203546
ChEBI Name3beta,5alpha-dihydroxy-6beta-methoxyergosta-7,22-diene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O3
Net Charge0
Average Mass444.700
Monoisotopic Mass444.36035
SMILESCO[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/C(C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O
InChIInChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(32-7)29(31)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,16,18-21,23-26,30-31H,10-15,17H2,1-7H3/b9-8+/t19?,20-,21+,23-,24+,25+,26-,27-,28-,29+/m1/s1
InChIKeyGQVCGTRDXSDAHC-PWHCITEMSA-N
Species of MetaboliteComponentSourceComments
Agaricus blazei (ncbitaxon:79798) - DOI (10.1016/0031-9422(88)80662-9)
ChEBI Ontology
Outgoing Relation(s)
3beta,5alpha-dihydroxy-6beta-methoxyergosta-7,22-diene (CHEBI:203546) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-6-methoxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5-diol
Manual XrefsDatabases
29214136ChemSpider