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CHEBI:206567 - Sporulositol C

ChEBI IDCHEBI:206567
ChEBI NameSporulositol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H38O7
Net Charge0
Average Mass402.528
Monoisotopic Mass402.26175
SMILESCC1=C(CO[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)[C@@]2(C)CCC[C@](C)(CO)[C@@H]2CC1
WURCSWURCS=2.0/1,1,0/[h1122h_3*OCCC^SC^RC^SCCC$5/7CO/7C/6CCC=^X$4/16C/5C]/1/
InChIInChI=1S/C21H38O7/c1-13-5-6-17-20(2,12-24)7-4-8-21(17,3)14(13)11-28-19(16(26)10-23)18(27)15(25)9-22/h15-19,22-27H,4-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21-/m1/s1
InChIKeyQXGYZEFZQLOQSG-CSDLJKASSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyrium (ncbitaxon:300251) - PubMed (31083454)
ChEBI Ontology
Outgoing Relation(s)
Sporulositol C (CHEBI:206567) is a hexose (CHEBI:18133)
IUPAC Name 
(2R,3R,4R,5R)-4-[[(4aR,5S,8aS)-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]hexane-1,2,3,5,6-pentol
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73950468ChemSpider