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CHEBI:185464 - Gangetin

Default Structure
ChEBI IDCHEBI:185464
ChEBI NameGangetin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O5
Net Charge0
Average Mass420.505
Monoisotopic Mass420.19367
SMILESCOc1c2c(cc3c1C1Oc4c(ccc(O)c4CC=C(C)C)C1CO3)OC(C)(C)C=C2
InChIInChI=1S/C26H28O5/c1-14(2)6-7-16-19(27)9-8-15-18-13-29-21-12-20-17(10-11-26(3,4)31-20)24(28-5)22(21)25(18)30-23(15)16/h6,8-12,18,25,27H,7,13H2,1-5H3
InChIKeyFUNJPZFUOULIEZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Gangetin (CHEBI:185464) is a pterocarpans (CHEBI:26377)
IUPAC Name 
21-methoxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-6-ol
Manual XrefsDatabases
281119ChemSpider
LMPK12070099LIPID MAPS
Registry NumbersSources
CAS:32986-79-1ChemIDplus