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CHEBI:201982 - Stelliosphaerol A

ChEBI IDCHEBI:201982
ChEBI NameStelliosphaerol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H38O7
Net Charge0
Average Mass402.528
Monoisotopic Mass402.26175
SMILESCC1=CCC[C@@H](C)[C@]1(C)CC/C(=C/CO[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)CO
WURCSWURCS=2.0/1,1,0/[h1122h_3*OCC=^ZCCCC^SC=^XCCCC^R$8/13C/9C/8C/5CO]/1/
InChIInChI=1S/C21H38O7/c1-14-5-4-6-15(2)21(14,3)9-7-16(11-22)8-10-28-20(18(26)13-24)19(27)17(25)12-23/h5,8,15,17-20,22-27H,4,6-7,9-13H2,1-3H3/b16-8-/t15-,17-,18-,19-,20-,21-/m1/s1
InChIKeyDYSCHCNBMYYZQM-CCKYJWTPSA-N
ChEBI Ontology
Outgoing Relation(s)
Stelliosphaerol A (CHEBI:201982) is a hexose (CHEBI:18133)
IUPAC Name 
(2R,3R,4R,5R)-4-[(Z)-3-(hydroxymethyl)-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enoxy]hexane-1,2,3,5,6-pentol
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58910088ChemSpider