Gangetinin (CHEBI:185634)

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	Gangetinin

ChEBI ID	CHEBI:185634

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C26H26O5

Net Charge

Average Mass

418.489

Monoisotopic Mass

418.17802

InChI

InChI=1S/C26H26O5/c1-25(2)10-8-15-18(30-25)7-6-14-17-13-28-20-12-19-16(9-11-26(3,4)31-19)23(27-5)21(20)24(17)29-22(14)15/h6-12,17,24H,13H2,1-5H3

InChIKey

GYTBWEWXRFODTH-UHFFFAOYSA-N

SMILES

O1C2C(C3=C1C4=C(OC(C=C4)(C)C)C=C3)COC5=C2C(OC)=C6C(OC(C=C6)(C)C)=C5

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	Gangetinin (CHEBI:185634) is a pterocarpans (CHEBI:26377)

IUPAC Name

3-methoxy-7,7,20,20-tetramethyl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15(24),16,18(23),21-octaene