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CHEBI:210687 - 2beta,6beta-dihydroxy-5alpha-methoxyergosta-7, 22-diene

ChEBI IDCHEBI:210687
ChEBI Name2beta,6beta-dihydroxy-5alpha-methoxyergosta-7, 22-diene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O3
Net Charge0
Average Mass444.700
Monoisotopic Mass444.36035
SMILESCO[C@]12CC[C@@H](O)C[C@]1(C)[C@H]1CC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]3C1=C[C@H]2O
InChIInChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(31)29(32-7)15-12-21(30)17-28(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-/m0/s1
InChIKeyOQELOAWIDHUNTF-VQFLSLSASA-N
Species of MetaboliteComponentSourceComments
Fusarium solani (ncbitaxon:169388) - PubMed (27000714)
ChEBI Ontology
Outgoing Relation(s)
2beta,6beta-dihydroxy-5alpha-methoxyergosta-7, 22-diene (CHEBI:210687) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2R,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-methoxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,6-diol
Manual XrefsDatabases
78436170ChemSpider