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CHEBI:206562 - Sporulositol B

ChEBI IDCHEBI:206562
ChEBI NameSporulositol B
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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)CCCC(C)(C)[C@@H]2[C@@H](O)C1
WURCSWURCS=2.0/1,1,0/[h1122h_3*OCCC^SC^SCCCC$5/7C/7C/6C^SCC=^X$4/15C/13O/5C]/1/
InChIInChI=1S/C21H38O7/c1-12-8-14(24)19-20(2,3)6-5-7-21(19,4)13(12)11-28-18(16(26)10-23)17(27)15(25)9-22/h14-19,22-27H,5-11H2,1-4H3/t14-,15+,16+,17+,18+,19-,21+/m0/s1
InChIKeyJJHBCUGETPYSES-JJZMNIDLSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyrium (ncbitaxon:300251) - PubMed (31083454)
ChEBI Ontology
Outgoing Relation(s)
Sporulositol B (CHEBI:206562) is a hexose (CHEBI:18133)
IUPAC Name 
(2R,3R,4R,5R)-4-[[(4S,4aS,8aS)-4-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]hexane-1,2,3,5,6-pentol
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73950467ChemSpider