CHEBI:229028 - 6-Epiangustifolin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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-Epiangustifolin
ChEBI ID CHEBI:229028
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H28O6
Net Charge 0
Average Mass 376.449
Monoisotopic Mass 376.18859
InChI InChI=1S/C21H28O6/c1-11-12-7-13(22)14-20(10-27-18(24)21(14,8-12)16(11)23)6-4-5-19(2)9-26-17(25-3)15(19)20/h12-15,17,22H,1,4-10H2,2-3H3/t12-,13-,14+,15-,17-,19+,20-,21+/m1/s1
InChIKey OCIBRRBOOBNKJY-YHDMYULQSA-N
SMILES O1[C@@H](OC)[C@]2([C@]3([C@]4([C@]5(C[C@@](C[C@H]4O)(C(C5=O)=C)[H])C(OC3)=O)[H])CCC[C@]2(C1)C)[H]
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing 6-Epiangustifolin (CHEBI:229028) is a diterpene lactone (CHEBI:49193)
IUPAC Name
(1'S,3R,3aR,4R,6'S,7'R,7aR,9'S)-7'-hydroxy-3-methoxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzouran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione
Manual Xref Database
552289 ChemSpider
View more database links