biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) - Ontology Report

Keyword

ONTOLOGY REPORT - ANNOTATIONS

Term:	biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)	go back to main search page
Accession:	CHEBI:28556	browse the term
Definition:	A beta-D-glucoside that has formula C25H24O13.
Synonyms:	exact_synonym:	5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside
	related_synonym:	Biochanin A 7-O-beta-D-glucoside 6''-O-malonate; C25H24O13; COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O; InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,22-,23+,24-,25-/m1/s1; InChIKey=VRCBYTZZZFFKEN-RBZNUJCTSA-N
	alt_id:	CHEBI:20677; CHEBI:2152; CHEBI:31287
	xref_casrn:	34232-17-2
	xref:	KEGG COMPOUND:34232-17-2 "CAS Registry Number"; KEGG COMPOUND:C12625 "KEGG COMPOUND"
	cyclic_relationship:	is_conjugate_acid_of CHEBI:58577

Term paths to the root

Path 1
Term	Annotations
CHEBI ontology	492574
chemical entity	492574
atom	491537
nonmetal atom	450591
oxygen atom	300604
oxygen molecular entity	300604
organooxygen compound	213735
ether	7016
aromatic ether	2367
methoxyisoflavone	116
biochanin A	96
biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)	0
Path 2
Term	Annotations
CHEBI ontology	492574
subatomic particle	491537
composite particle	491537
hadron	491537
baryon	491537
nucleon	491537
atomic nucleus	491537
atom	491537
main group element atom	461203
p-block element atom	458699
carbon group element atom	410677
carbon atom	407233
organic molecular entity	407226
organic group	167766
organic divalent group	166601
organodiyl group	166601
carbonyl group	166291
carbonyl compound	166291
ketone	31433
cyclic ketone	13295
isoflavones	2745
hydroxyisoflavone	2745
7-hydroxyisoflavones	2745
biochanin A	96
biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)	0