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CHEBI:215357 - 1R,4S,5S,7R,10R)-10-Hydroxyguaianol 10-O-Bmannopyranoside

ChEBI IDCHEBI:215357
ChEBI Name1R,4S,5S,7R,10R)-10-Hydroxyguaianol 10-O-Bmannopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O6
Net Charge0
Average Mass384.513
Monoisotopic Mass384.25119
SMILESC=C(C)[C@@H]1CC[C@@](C)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2CC[C@H](C)[C@@H]2C1
InChIInChI=1S/C21H36O6/c1-11(2)13-7-8-21(4,15-6-5-12(3)14(15)9-13)27-20-19(25)18(24)17(23)16(10-22)26-20/h12-20,22-25H,1,5-10H2,2-4H3/t12-,13+,14-,15+,16+,17+,18-,19-,20-,21+/m0/s1
InChIKeyOSZGOBMVXVHBQY-ZAWPNLMCSA-N
ChEBI Ontology
Outgoing Relation(s)
1R,4S,5S,7R,10R)-10-Hydroxyguaianol 10-O-Bmannopyranoside (CHEBI:215357) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(2S,3S,4S,5S,6R)-2-[[(1S,3aR,4R,7R,8aS)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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78442710ChemSpider