CHEBI:202984 - 7-chloromellein-5-ol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 7-chloromellein-5-ol
ChEBI ID CHEBI:202984
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H9ClO4
Net Charge 0
Average Mass 228.630
Monoisotopic Mass 228.01894
InChI InChI=1S/C10H9ClO4/c1-4-2-5-7(12)3-6(11)9(13)8(5)10(14)15-4/h3-4,12-13H,2H2,1H3/t4-/m1/s1
InChIKey MIIMVCLEBONLDP-SCSAIBSYSA-N
SMILES ClC1=C(O)C=2C(=O)O[C@H](C)CC2C(=C1)O
Metabolite of Species Details
Tuberculariaspecies TF5 (NCBI:txid252395) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7-chloromellein-5-ol (CHEBI:202984) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name
(3R)-7-chloro-5,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one
Manual Xref Database
78440923 ChemSpider
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