CHEBI:189448 - 2''-O-beta-L-Galactopyranosylorientin

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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 2''-O-beta-L-Galactopyranosylorientin
ChEBI ID CHEBI:189448
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30O16
Net Charge 0
Average Mass 610.521
Monoisotopic Mass 610.15338
InChI InChI=1S/C27H30O16/c28-6-15-20(36)22(38)26(43-27-23(39)21(37)19(35)16(7-29)42-27)25(41-15)18-12(33)4-11(32)17-13(34)5-14(40-24(17)18)8-1-2-9(30)10(31)3-8/h1-5,15-16,19-23,25-33,35-39H,6-7H2/t15-,16+,19-,20-,21-,22+,23+,25+,26-,27+/m1/s1
InChIKey QQBFHNKJGBCSLG-YMPKARJTSA-N
SMILES O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@]1(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC(O)=C(O)C=C4)[H])CO)[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)CO
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in leaf sheath (BTO:0005094). See: MetaboLights Study
ChEBI Ontology
Outgoing 2''-O-beta-L-Galactopyranosylorientin (CHEBI:189448) is a C-glycosyl compound (CHEBI:20857)
2''-O-beta-L-Galactopyranosylorientin (CHEBI:189448) is a flavonoids (CHEBI:72544)
IUPAC Name
8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Manual Xref Database
38236345 ChemSpider
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