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CHEBI:213070 - 1,10,11,12-Guaianetetrol

ChEBI IDCHEBI:213070
ChEBI Name1,10,11,12-Guaianetetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H28O7S
Net Charge0
Average Mass352.449
Monoisotopic Mass352.15557
SMILESC[C@H]1CCC2(O)[C@H]1C[C@H](C(C)(O)COS(=O)(=O)O)CC[C@@]2(C)O
InChIInChI=1S/C15H28O7S/c1-10-4-7-15(18)12(10)8-11(5-6-14(15,3)17)13(2,16)9-22-23(19,20)21/h10-12,16-18H,4-9H2,1-3H3,(H,19,20,21)/t10-,11+,12-,13?,14+,15?/m0/s1
InChIKeyWGZJGSMZQTWTSO-NIBQUVFZSA-N
ChEBI Ontology
Outgoing Relation(s)
1,10,11,12-Guaianetetrol (CHEBI:213070) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[2-[(3S,3aS,5R,8R)-8,8a-dihydroxy-3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-5-yl]-2-hydroxypropyl] hydrogen sulate
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