CHEBI:192386 - Isorhamnetin 3-(3'',6''-di-p-coumarylglucoside)

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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 Isorhamnetin 3-(3'',6''-di-p-coumarylglucoside)
ChEBI ID CHEBI:192386
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H34O16
Net Charge 0
Average Mass 770.696
Monoisotopic Mass 770.18469
InChI InChI=1S/C40H34O16/c1-51-28-16-22(8-13-26(28)44)37-39(35(49)33-27(45)17-25(43)18-29(33)53-37)56-40-36(50)38(55-32(47)15-7-21-4-11-24(42)12-5-21)34(48)30(54-40)19-52-31(46)14-6-20-2-9-23(41)10-3-20/h2-18,30,34,36,38,40-45,48,50H,19H2,1H3/b14-6+,15-7+/t30-,34-,36?,38?,40+/m1/s1
InChIKey CQKFGYQBBQNDQG-UJHJBQAMSA-N
SMILES O1[C@@H]([C@@H](O)C(OC(=O)/C=C/C2=CC=C(O)C=C2)C(O)[C@@H]1OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC(OC)=C(O)C=C5)COC(=O)/C=C/C6=CC=C(O)C=C6
Metabolite of Species Details
Pinus radiata (NCBI:txid3347) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Isorhamnetin 3-(3'',6''-di-p-coumarylglucoside) (CHEBI:192386) is a flavonoid (CHEBI:47916)
Isorhamnetin 3-(3'',6''-di-p-coumarylglucoside) (CHEBI:192386) is a glycoside (CHEBI:24400)
IUPAC Name
[(2R,3R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual Xrefs Databases
24843628 ChemSpider
LMPK12110593 LIPID MAPS
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