CHEBI:181662 - Meranzin hydrate

ChEBI IDCHEBI:181662
ChEBI NameMeranzin hydrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O5
Net Charge0
Average Mass278.304
Monoisotopic Mass278.11542
SMILESCOc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O
InChIInChI=1S/C15H18O5/c1-15(2,18)12(16)8-10-11(19-3)6-4-9-5-7-13(17)20-14(9)10/h4-7,12,16,18H,8H2,1-3H3
InChIKeyKGGUASRIGLRPAX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
Meranzin hydrate (CHEBI:181662) is a coumarins (CHEBI:23403)
IUPAC Name 
8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one
Manual XrefsDatabases
4247554ChemSpider