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CHEBI:180755 - Americanin B

ChEBI IDCHEBI:180755
ChEBI NameAmericanin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H24O9
Net Charge0
Average Mass492.480
Monoisotopic Mass492.14203
SMILESO=C/C=C/c1ccc2c(c1)OC(c1ccc3c(c1)OC(CO)C(c1ccc(O)c(O)c1)O3)C(CO)O2
InChIInChI=1S/C27H24O9/c28-9-1-2-15-3-7-20-22(10-15)36-27(24(13-29)33-20)17-5-8-21-23(12-17)34-25(14-30)26(35-21)16-4-6-18(31)19(32)11-16/h1-12,24-27,29-32H,13-14H2/b2-1+
InChIKeyVDIFGESBHJLSFS-OWOJBTEDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
Americanin B (CHEBI:180755) is a benzodioxine (CHEBI:64096)
IUPAC Name 
(E)-3-[3-[2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
Manual XrefsDatabases
HMDB0037338HMDB
30839456ChemSpider