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CHEBI:206556 - Sporulositol A

ChEBI IDCHEBI:206556
ChEBI NameSporulositol A
Stars
Last Modified29 October 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H38O6
Net Charge0
Average Mass386.529
Monoisotopic Mass386.26684
SMILESCC1=C(CO[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1
WURCSWURCS=2.0/1,1,0/[h1122h_3*OCCC^SC^SCCCC$5/7C/7C/6CCC=^X$4/15C/5C]/1/
InChIInChI=1S/C21H38O6/c1-13-6-7-17-20(2,3)8-5-9-21(17,4)14(13)12-27-19(16(25)11-23)18(26)15(24)10-22/h15-19,22-26H,5-12H2,1-4H3/t15-,16-,17+,18-,19-,21-/m1/s1
InChIKeyJFVKCNLEGFIHNP-WDMXLXEJSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyrium (ncbitaxon:300251) - PubMed (31083454)
ChEBI Ontology
Outgoing Relation(s)
Sporulositol A (CHEBI:206556) is a hexose (CHEBI:18133)
IUPAC Name 
(2R,3R,4R,5R)-4-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]hexane-1,2,3,5,6-pentol
UniProt Name  Source
sporulositol AUniProt
Manual XrefsDatabases
73950466ChemSpider