EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:229160 - Magnolignan H

ChEBI IDCHEBI:229160
ChEBI NameMagnolignan H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H34O6
Net Charge0
Average Mass562.662
Monoisotopic Mass562.23554
SMILESC=CCc1ccc(Oc2cc(CC=C)c3c(c2O)O[C@@H](CO)[C@H]3c2ccc(O)c(-c3cc(CC=C)ccc3O)c2)cc1
InChIInChI=1S/C36H34O6/c1-4-7-22-10-14-26(15-11-22)41-31-20-24(9-6-3)34-33(32(21-37)42-36(34)35(31)40)25-13-17-30(39)28(19-25)27-18-23(8-5-2)12-16-29(27)38/h4-6,10-20,32-33,37-40H,1-3,7-9,21H2/t32-,33+/m0/s1
InChIKeyYGUKSKZCBFPXIC-JHOUSYSJSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Magnolignan H (CHEBI:229160) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
(2R,3S)-3-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-2-(hydroxymethyl)-4-prop-2-enyl-6-(4-prop-2-enylphenoxy)-2,3-dihydro-1-benzouran-7-ol
Manual XrefsDatabases
331591ChemSpider