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CHEBI:199583 - 10,11,12-Guaianetriol

ChEBI IDCHEBI:199583
ChEBI Name10,11,12-Guaianetriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H28O6S
Net Charge0
Average Mass336.450
Monoisotopic Mass336.16066
SMILESC[C@H]1CC[C@@H]2[C@H]1C[C@H](C(C)(O)COS(=O)(=O)O)CC[C@@]2(C)O
InChIInChI=1S/C15H28O6S/c1-10-4-5-13-12(10)8-11(6-7-14(13,2)16)15(3,17)9-21-22(18,19)20/h10-13,16-17H,4-9H2,1-3H3,(H,18,19,20)/t10-,11+,12-,13+,14+,15?/m0/s1
InChIKeySZXOZYZKNYDKBM-CNFROBGKSA-N
ChEBI Ontology
Outgoing Relation(s)
10,11,12-Guaianetriol (CHEBI:199583) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[2-[(3S,3aS,5R,8R,8aR)-8-hydroxy-3,8-dimethyl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulen-5-yl]-2-hydroxypropyl] hydrogen sulate
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