CHEBI:175081 - 6-Hydroxyenterodiol

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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 6-Hydroxyenterodiol
ChEBI ID CHEBI:175081
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H22O5
Net Charge 0
Average Mass 318.369
Monoisotopic Mass 318.14672
InChI InChI=1S/C18H22O5/c19-10-14(6-12-2-1-3-16(21)7-12)15(11-20)8-13-9-17(22)4-5-18(13)23/h1-5,7,9,14-15,19-23H,6,8,10-11H2
InChIKey IIIPQSPGJDLZTP-UHFFFAOYSA-N
SMILES OCC(C(CC1=CC(O)=CC=C1)CO)CC2=C(O)C=CC(O)=C2
ChEBI Ontology
Outgoing 6-Hydroxyenterodiol (CHEBI:175081) is a lignan (CHEBI:25036)
IUPAC Name
2-[2,3-bis(hydroxymethyl)-4-(3-hydroxyphenyl)butyl]benzene-1,4-diol
Manual Xrefs Databases
35015221 ChemSpider
HMDB0041699 HMDB
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