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demethyldeoxyspectinabilin

Go to external page http://purl.obolibrary.org/obo/CHEBI_142931

A polyketide that is deoxyspectinabilin in which the methoxy group at position 2 of the pyranone moiety has been replaced by a hydroxy group.

Term info

Label

demethyldeoxyspectinabilin

Synonyms
  • 2-hydroxy-3,5-dimethyl-6-[(3E,5E,7E,9E)-3,5,7,9-tetramethyl-10-(4-nitrophenyl)deca-3,5,7,9-tetraen-1-yl]-4H-pyran-4-one
database cross reference
Subsets

3_STAR

IUPAC NAME
2-hydroxy-3,5-dimethyl-6-[(3E,5E,7E,9E)-3,5,7,9-tetramethyl-10-(4-nitrophenyl)deca-3,5,7,9-tetraen-1-yl]-4H-pyran-4-one [ IUPAC ]

charge

0

formula

C27H31NO5

has obo namespace

chebi_ontology

id

CHEBI:142931

inchi

InChI=1S/C27H31NO5/c1-17(7-12-25-21(5)26(29)22(6)27(30)33-25)13-18(2)14-19(3)15-20(4)16-23-8-10-24(11-9-23)28(31)32/h8-11,13-16,30H,7,12H2,1-6H3/b17-13+,18-14+,19-15+,20-16+

inchikey

CELSPYRBTSNTTI-AQWWNALJSA-N

mass

449.547

monoisotopicmass

449.22022

smiles

C1=CC(=CC=C1/C=C(\C)/C=C(\C)/C=C(\C)/C=C(\C)/CCC2=C(C(C(=C(O2)O)C)=O)C)[N+]([O-])=O