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CHEBI:227945 - Fusaristerol B

ChEBI IDCHEBI:227945
ChEBI NameFusaristerol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H76O4
Net Charge0
Average Mass669.088
Monoisotopic Mass668.57436
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(C1)[C@H](O)C=C1[C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@]12O
InChIInChI=1S/C44H76O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-41(46)48-35-26-27-43(7)39(30-35)40(45)31-38-37-25-24-36(34(5)23-22-33(4)32(2)3)42(37,6)28-29-44(38,43)47/h22-23,31-37,39-40,45,47H,8-21,24-30H2,1-7H3/b23-22+/t33-,34+,35-,36+,37-,39?,40+,42+,43-,44-/m0/s1
InChIKeyNSDKADJZZHEMKH-CFEGGGGCSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - DOI (10.1016/j.phytol.2018.11.024)
ChEBI Ontology
Outgoing Relation(s)
Fusaristerol B (CHEBI:227945) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(3S,6R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,9-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] hexadecanoate