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CHEBI:175212 - Isoamericanol A

ChEBI IDCHEBI:175212
ChEBI NameIsoamericanol A
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SubmitterMetaboLights
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FormulaC18H18O6
Net Charge0
Average Mass330.336
Monoisotopic Mass330.11034
SMILESOC/C=C/c1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](CO)O2
InChIInChI=1S/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)24-18(17(10-20)23-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1+/t17-,18-/m1/s1
InChIKeyPPZYUSOIUGJLFB-ZHEVZCJESA-N
ChEBI Ontology
Outgoing Relation(s)
Isoamericanol A (CHEBI:175212) is a benzodioxine (CHEBI:64096)
IUPAC Name 
4-[(2R,3R)-2-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol
Manual XrefsDatabases
4947965ChemSpider
Registry NumbersSources
CAS:133838-66-1ChemIDplus