CHEBI:172639 - Hemiariensin

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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 Hemiariensin
ChEBI ID CHEBI:172639
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H24O7
Net Charge 0
Average Mass 400.427
Monoisotopic Mass 400.15220
InChI InChI=1S/C22H24O7/c1-14(24)25-11-18(7-16-3-5-20-22(9-16)29-13-27-20)17(10-23)6-15-2-4-19-21(8-15)28-12-26-19/h2-5,8-9,17-18,23H,6-7,10-13H2,1H3
InChIKey ZSECDNBADLTTJC-UHFFFAOYSA-N
SMILES O(CC(C(CC1=CC=2OCOC2C=C1)CO)CC3=CC=4OCOC4C=C3)C(=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Hemiariensin (CHEBI:172639) is a lignan (CHEBI:25036)
IUPAC Name
[2,3-bis(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutyl] acetate
Manual Xrefs Databases
35013095 ChemSpider
HMDB0029869 HMDB
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