CHEBI:185810 - Paratocarpin G

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 Paratocarpin G
ChEBI ID CHEBI:185810
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O6
Net Charge 0
Average Mass 424.493
Monoisotopic Mass 424.18859
InChI InChI=1S/C25H28O6/c1-14(2)5-8-16-20(27)11-9-17(22(16)28)19(26)10-6-15-7-12-21-18(13-15)23(29)24(31-21)25(3,4)30/h5-7,9-13,23-24,27-30H,8H2,1-4H3/b10-6+/t23-,24-/m1/s1
InChIKey JNJNAVYFPDNHIC-HKOZKTRXSA-N
SMILES O1[C@@](C(O)(C)C)([C@H](O)C2=C1C=CC(=C2)/C=C/C(=O)C3=C(O)C(CC=C(C)C)=C(O)C=C3)[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Paratocarpin G (CHEBI:185810) is a chalcones (CHEBI:23086)
IUPAC Name
(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[(2R,3R)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-yl]prop-2-en-1-one
Manual Xrefs Databases
24845873 ChemSpider
LMPK12120037 LIPID MAPS
View more database links