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CHEBI:220793 - NGA0187

ChEBI IDCHEBI:220793
ChEBI NameNGA0187
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O6
Net Charge0
Average Mass504.708
Monoisotopic Mass504.34509
SMILESCC(=O)O[C@H]1C[C@H]2C3C([C@@H](O)C[C@]2(C)[C@H]1[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@H](O)C[C@@H]1C(=O)[C@@H]3O
InChIInChI=1S/C30H48O6/c1-15(2)16(3)8-9-17(4)25-23(36-18(5)31)13-20-24-26(22(33)14-30(20,25)7)29(6)11-10-19(32)12-21(29)27(34)28(24)35/h8-9,15-17,19-26,28,32-33,35H,10-14H2,1-7H3/b9-8+/t16-,17+,19-,20-,21+,22-,23-,24?,25-,26?,28+,29-,30-/m0/s1
InChIKeyLWMKDRSIMLTGDK-BERHDSNKSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (12243452)
ChEBI Ontology
Outgoing Relation(s)
NGA0187 (CHEBI:220793) is a ergostanoid (CHEBI:50403)
IUPAC Name 
[(3S,5S,7R,10R,11S,13S,14S,16S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,7,11-trihydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
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78442873ChemSpider