CHEBI:185275 - Physagulin 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 Physagulin G
ChEBI ID CHEBI:185275
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H50O15
Net Charge 0
Average Mass 722.781
Monoisotopic Mass 722.31497
InChI InChI=1S/C36H50O15/c1-15-18(14-47-31-27(43)26(42)25(41)22(13-37)50-31)11-21(49-30(15)44)16(2)36-29(51-36)28(48-17(3)38)35(46)20-12-24(40)34(45)9-6-7-23(39)33(34,5)19(20)8-10-32(35,36)4/h6-7,16,19-22,24-29,31,37,40-43,45-46H,8-14H2,1-5H3
InChIKey LBNOIKRBLYMNFW-UHFFFAOYSA-N
SMILES O1C2(C3(C(O)(C(OC(=O)C)C12)C4C(CC3)C5(C(O)(C(O)C4)CC=CC5=O)C)C)C(C6OC(=O)C(=C(C6)COC7OC(C(O)C(O)C7O)CO)C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via withanolide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Physagulin G (CHEBI:185275) is a withanolide (CHEBI:74716)
IUPAC Name
[2,16,17-trihydroxy-7,11-dimethyl-6-[1-[5-methyl-6-oxo-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-12-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-13-en-3-yl] acetate
Manual Xref Database
HMDB0039694 HMDB
View more database links