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CHEBI:206576 - Sporulositol D

ChEBI IDCHEBI:206576
ChEBI NameSporulositol D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H38O8
Net Charge0
Average Mass418.527
Monoisotopic Mass418.25667
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]2C[C@H]1O
WURCSWURCS=2.0/1,1,0/[h1122h_3*OCCC^SC^RC^SCCC$5/7CO/7C/6CC^RC=^X$4/16C/15O/5C]/1/
InChIInChI=1S/C21H38O8/c1-12-13(10-29-19(16(27)9-23)18(28)15(26)8-22)21(3)6-4-5-20(2,11-24)17(21)7-14(12)25/h14-19,22-28H,4-11H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21-/m1/s1
InChIKeyPSPAUIVYOCLYBY-WMAAIBCPSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyrium (ncbitaxon:300251) - PubMed (31083454)
ChEBI Ontology
Outgoing Relation(s)
Sporulositol D (CHEBI:206576) is a hexose (CHEBI:18133)
IUPAC Name 
(2R,3R,4R,5R)-4-[[(3R,4aR,5S,8aS)-3-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]hexane-1,2,3,5,6-pentol
Manual XrefsDatabases
73950469ChemSpider