CHEBI:180755 - Americanin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Americanin B
ChEBI ID CHEBI:180755
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H24O9
Net Charge 0
Average Mass 492.480
Monoisotopic Mass 492.14203
InChI InChI=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+
InChIKey VDIFGESBHJLSFS-OWOJBTEDSA-N
SMILES O1C(C(OC2=C1C=C(C3OC4=C(OC3CO)C=CC(=C4)/C=C/C=O)C=C2)C5=CC(O)=C(O)C=C5)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
ChEBI Ontology
Outgoing 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 Xrefs Databases
30839456 ChemSpider
HMDB0037338 HMDB
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