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CHEBI:199204 - S19159

ChEBI IDCHEBI:199204
ChEBI NameS19159
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O5
Net Charge0
Average Mass484.677
Monoisotopic Mass484.31887
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC(=O)[C@@]45C[C@@]35[C@H](O)C[C@]12C)C(C)C
InChIInChI=1S/C30H44O5/c1-16(2)17(3)7-8-18(4)19-9-10-20-21-11-12-22-28(6,26(34)35)23(31)13-24(32)30(22)15-29(21,30)25(33)14-27(19,20)5/h11,16,18-20,22-23,25,31,33H,3,7-10,12-15H2,1-2,4-6H3,(H,34,35)/t18-,19-,20+,22+,23+,25-,27-,28+,29+,30-/m1/s1
InChIKeyYHBXMVZOQPOYGU-FDOZPVTESA-N
Species of MetaboliteComponentSourceComments
Preussia aemulans (ncbitaxon:325661) - PubMed (9917001)
ChEBI Ontology
Outgoing Relation(s)
S19159 (CHEBI:199204) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1R,3S,6S,7S,8R,12R,15R,16R,18R)-6,18-dihydroxy-7,16-dimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-4-oxopentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-ene-7-carboxylic acid
Manual XrefsDatabases
8226605ChemSpider