CHEBI:175211 - Americanol A

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ChEBI Name Americanol A
ChEBI ID CHEBI:175211
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H18O6
Net Charge 0
Average Mass 330.336
Monoisotopic Mass 330.11034
InChI InChI=1S/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)23-17(10-20)18(24-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1+/t17-,18-/m1/s1
InChIKey NKYXNCKZTCGVJJ-ZHEVZCJESA-N
SMILES O1[C@@H]([C@H](OC2=C1C=CC(=C2)/C=C/CO)CO)C3=CC(O)=C(O)C=C3
ChEBI Ontology
Outgoing Americanol A (CHEBI:175211) is a benzodioxine (CHEBI:64096)
IUPAC Name
4-[(2R,3R)-3-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol
Manual Xrefs Databases
552934 ChemSpider
HMDB0038494 HMDB
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Registry Number Type Source
133838-65-0 CAS Registry Number ChemIDplus