CHEBI:81267 - neocarthamin

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ChEBI Name neocarthamin
ChEBI ID CHEBI:81267
Definition A flavanone glycoside that is carthamidin attached to a β-D-glucopyranosyl residue at position 5 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H22O11
Net Charge 0
Average Mass 450.39280
Monoisotopic Mass 450.11621
InChI InChI=1S/C21H22O11/c22-7-14-17(27)18(28)19(29)21(31-14)32-20-15-10(24)5-12(8-1-3-9(23)4-2-8)30-13(15)6-11(25)16(20)26/h1-4,6,12,14,17-19,21-23,25-29H,5,7H2/t12-,14+,17+,18-,19+,21-/m0/s1
InChIKey UBFTZAGDGOMJQE-SACPXRHSSA-N
SMILES OC[C@H]1O[C@@H](Oc2c(O)c(O)cc3O[C@@H](CC(=O)c23)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Metabolite of Species Details
Carthamus tinctorius (NCBI:txid4222) Found in flower (BTO:0000469). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing neocarthamin (CHEBI:81267) has functional parent carthamidin (CHEBI:80809)
neocarthamin (CHEBI:81267) has role plant metabolite (CHEBI:76924)
neocarthamin (CHEBI:81267) is a 4'-hydroxyflavanones (CHEBI:140331)
neocarthamin (CHEBI:81267) is a flavanone glycoside (CHEBI:72730)
neocarthamin (CHEBI:81267) is a trihydroxyflavanone (CHEBI:38739)
IUPAC Name
(2S)-6,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl β-D-glucopyranoside
Synonym Source
carthamidin 5-O-β-glucoside ChEBI
Manual Xrefs Databases
C17675 KEGG COMPOUND
HMDB0037476 HMDB
View more database links
Registry Number Type Source
8371068 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22723874 PubMed citation Europe PMC
Last Modified
05 April 2018