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CHEBI:6695 - (+)-marmesin

ChEBI IDCHEBI:6695
ChEBI Name(+)-marmesin
Stars
Last Modified25 February 2016
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FormulaC14H14O4
Net Charge0
Average Mass246.262
Monoisotopic Mass246.08921
SMILES[H][C@@]1(C(C)(C)O)Cc2cc3ccc(=O)oc3cc2O1
InChIInChI=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
InChIKeyFWYSBEAFFPBAQU-LBPRGKRZSA-N

ChEBI Ontology
IUPAC Name 
(2S)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one
Synonyms  Source
MarmesinKEGG COMPOUND
(S)-marmesinChemIDplus
(S)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-oneNIST Chemistry WebBook
(S)-(+)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-oneNIST Chemistry WebBook
(+)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-oneNIST Chemistry WebBook
S-(+)-marmesinNIST Chemistry WebBook
UniProt Name  Source
(7S)-marmesinUniProt
Manual XrefsDatabases
C09276KEGG COMPOUND
C00000584KNApSAcK
LSM-2799LINCS
Registry NumbersSources
Beilstein:85844Beilstein
CAS:13849-08-6KEGG COMPOUND
CAS:13849-08-6NIST Chemistry WebBook
CAS:13849-08-6ChemIDplus