CHEBI:136613 - Apigenin-6-C-glucosyl-8-C-arabinoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Apigenin-6-C-glucosyl-8-C-arabinoside
ChEBI ID CHEBI:136613
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C32H38O19
Net Charge 0
Average Mass 726.634
Monoisotopic Mass 726.20073
InChI InChI=1S/C32H38O19/c33-6-13-19(37)24(42)27(45)30(49-13)17-22(40)16-11(36)5-12(48-29(16)18(23(17)41)31-26(44)21(39)14(7-34)50-31)9-1-3-10(4-2-9)47-32-28(46)25(43)20(38)15(8-35)51-32/h1-5,13-15,19-21,24-28,30-35,37-46H,6-8H2/t13-,14-,15-,19-,20-,21-,24+,25+,26+,27-,28-,30?,31?,32-/m1/s1
InChIKey LXRDQACNDLNSQJ-RCNVSCNCSA-N
SMILES C1(=C(C(=C(C2=C1OC(=CC2=O)C3=CC=C(C=C3)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)O)C5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)O)C6O[C@@H]([C@H]([C@@H]6O)O)CO
ChEBI Ontology
Outgoing Apigenin-6-C-glucosyl-8-C-arabinoside (CHEBI:136613) is a flavonoids (CHEBI:72544)
Apigenin-6-C-glucosyl-8-C-arabinoside (CHEBI:136613) is a glycoside (CHEBI:24400)
IUPAC Name
8-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
Synonym Source
APIGENIN-4,6-C-GLUCOSYL-8-C-ARABINOSIDE ChEBI
Last Modified
22 March 2017