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CHEBI:222554 - (1S,4R,5S,8S,10R,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-methyl-19-oxapentacyclo[11.4.2.01,14.04,13.05,10]nonadec-11-ene-4,8,10-triol

ChEBI IDCHEBI:222554
ChEBI Name(1S,4R,5S,8S,10R,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-methyl-19-oxapentacyclo[11.4.2.01,14.04,13.05,10]nonadec-11-ene-4,8,10-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O4
Net Charge0
Average Mass444.656
Monoisotopic Mass444.32396
SMILESCC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@@H]2[C@]13CC[C@@]1(O)[C@@]4(C)CC[C@H](O)C[C@@]4(O)C=C[C@@]21OC3
InChIInChI=1S/C28H44O4/c1-18(2)19(3)6-7-20(4)22-8-9-23-25(22)12-15-28(31)24(5)11-10-21(29)16-26(24,30)13-14-27(23,28)32-17-25/h6-7,13-14,18-23,29-31H,8-12,15-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26-,27+,28+/m0/s1
InChIKeyHNJRIGGSDAVDIK-NGTPQGPGSA-N
Species of MetaboliteComponentSourceComments
Stropharia rugosoannulata (ncbitaxon:68746) - DOI (10.1016/j.tetlet.2013.06.142)
ChEBI Ontology
Outgoing Relation(s)
(1S,4R,5S,8S,10R,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-methyl-19-oxapentacyclo[11.4.2.01,14.04,13.05,10]nonadec-11-ene-4,8,10-triol (CHEBI:222554) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1S,4R,5S,8S,10R,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-methyl-19-oxapentacyclo[11.4.2.01,14.04,13.05,10]nonadec-11-ene-4,8,10-triol
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