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CHEBI:227875 - (22E,24R)-6beta-methoxyergosta-7,9 (11),22-trien-3beta,5alpha,14beta-triol

ChEBI IDCHEBI:227875
ChEBI Name(22E,24R)-6beta-methoxyergosta-7,9 (11),22-trien-3beta,5alpha,14beta-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O4
Net Charge0
Average Mass458.683
Monoisotopic Mass458.33961
SMILESCO[C@@H]1C=C2C(=CC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@]23O)[C@@]2(C)CC[C@H](O)C[C@]12O
InChIInChI=1S/C29H46O4/c1-18(2)19(3)8-9-20(4)22-12-15-28(31)24-16-25(33-7)29(32)17-21(30)10-13-27(29,6)23(24)11-14-26(22,28)5/h8-9,11,16,18-22,25,30-32H,10,12-15,17H2,1-7H3/b9-8+/t19-,20+,21-,22+,25+,26+,27+,28-,29-/m0/s1
InChIKeyZNQTVDWBXOHGDP-BMPWRIHXSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (31494344)
ChEBI Ontology
Outgoing Relation(s)
(22E,24R)-6beta-methoxyergosta-7,9 (11),22-trien-3beta,5alpha,14beta-triol (CHEBI:227875) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5R,6R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6-methoxy-10,13-dimethyl-2,3,4,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,5,14-triol