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CHEBI:227859 - (22E,24R)-6beta-methoxyergosta-7,22-dien-3beta,5alpha,9alpha,14beta-tetraol

ChEBI IDCHEBI:227859
ChEBI Name(22E,24R)-6beta-methoxyergosta-7,22-dien-3beta,5alpha,9alpha,14beta-tetraol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O5
Net Charge0
Average Mass476.698
Monoisotopic Mass476.35017
SMILESCO[C@@H]1C=C2[C@](O)(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/C29H48O5/c1-18(2)19(3)8-9-20(4)22-11-13-27(31)23-16-24(34-7)29(33)17-21(30)10-12-26(29,6)28(23,32)15-14-25(22,27)5/h8-9,16,18-22,24,30-33H,10-15,17H2,1-7H3/b9-8+/t19-,20+,21-,22+,24+,25+,26+,27-,28+,29-/m0/s1
InChIKeyHBJRLXFOSVMXHX-LZBAXIKFSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (31494344)
ChEBI Ontology
Outgoing Relation(s)
(22E,24R)-6beta-methoxyergosta-7,22-dien-3beta,5alpha,9alpha,14beta-tetraol (CHEBI:227859) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6-methoxy-10,13-dimethyl-1,2,3,4,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,5,9,14-tetrol