CHEBI:196987 - 2''-O-Feruloylorientin

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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-Feruloylorientin
ChEBI ID CHEBI:196987
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H28O14
Net Charge 0
Average Mass 624.551
Monoisotopic Mass 624.14791
InChI InChI=1S/C31H28O14/c1-42-22-8-13(2-5-16(22)34)3-7-24(39)45-31-28(41)27(40)23(12-32)44-30(31)26-19(37)10-18(36)25-20(38)11-21(43-29(25)26)14-4-6-15(33)17(35)9-14/h2-11,23,27-28,30-37,40-41H,12H2,1H3/b7-3+/t23?,27-,28+,30+,31?/m1/s1
InChIKey DLYIGTJKJDNXEZ-IELLZICOSA-N
SMILES O1[C@](C(OC(=O)/C=C/C2=CC(OC)=C(O)C=C2)[C@@H](O)[C@H](O)C1CO)(C=3C=4OC(=CC(=O)C4C(O)=CC3O)C5=CC(O)=C(O)C=C5)[H]
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing 2''-O-Feruloylorientin (CHEBI:196987) is a C-glycosyl compound (CHEBI:20857)
2''-O-Feruloylorientin (CHEBI:196987) is a flavonoids (CHEBI:72544)
IUPAC Name
[(2S,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual Xrefs Databases
24843552 ChemSpider
LMPK12110514 LIPID MAPS
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