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(2S)-poncirin

Properties

Image

Occurences in reactions

MNX_ID

MNXM101028

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₈H₃₄O₁₄

charge

mass

594.19486

reference

chebi:66773

InChIKey

NLAWPKPYBMEWIR-SKYQDXIQSA-N

InChI

InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1

SMILES

COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3O2)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:66773 chebi:66773	(2S)-poncirin (2S)-5-hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside Citrifolioside Isosakuranetin 7-O-neohesperidoside Isosakuranetin-7-O-beta-D-neohesperidoside
lipidmaps:LMPK12140333 lipidmapsM:LMPK12140333	Poncirin
hmdb:HMDB0037487	Poncirin 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one Citrifolioside Isosakuranetin 7-O-neohesperidoside Isosakuranetin-7-O-beta-D-neohesperidoside Isosakuranetin-7-neohesperidoside poncirin
seed.compound:cpd06722 seedM:cpd06722 kegg.compound:C09830 keggC:C09830	Poncirin Isosakuranetin 7-O-neohesperidoside
hmdb:HMDB37487 chebi:8332 keggC:M_C09830 seedM:M_cpd06722	secondary/obsolete/fantasy identifier