CHEBI:6695 - (+)-marmesin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (+)-marmesin
ChEBI ID CHEBI:6695
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H14O4
Net Charge 0
Average Mass 246.25856
Monoisotopic Mass 246.089
InChI InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1
InChIKey FWYSBEAFFPBAQU-LBPRGKRZSA-N
SMILES [H][C@]1(Cc2cc3ccc(=O)oc3cc2O1)C(C)(C)O
ChEBI Ontology
Outgoing (+)-marmesin (CHEBI:6695) is a marmesin (CHEBI:49080)
(+)-marmesin (CHEBI:6695) is enantiomer of nodakenetin (CHEBI:132623)
Incoming nodakenetin (CHEBI:132623) is enantiomer of (+)-marmesin (CHEBI:6695)
IUPAC Name
(2S)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one
Synonyms Sources
(+)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one NIST Chemistry WebBook
(+)-Marmesin KEGG COMPOUND
(7S)-marmesin UniProt
(S)-(+)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one NIST Chemistry WebBook
(S)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one NIST Chemistry WebBook
(S)-marmesin ChemIDplus
Marmesin KEGG COMPOUND
S-(+)-marmesin NIST Chemistry WebBook
Manual Xrefs Databases
C00000584 KNApSAcK
C09276 KEGG COMPOUND
LSM-2799 LINCS
View more database links
Registry Numbers Types Sources
13849-08-6 CAS Registry Number NIST Chemistry WebBook
13849-08-6 CAS Registry Number ChemIDplus
85844 Beilstein Registry Number Beilstein
Last Modified
25 February 2016