CHEBI:192836 - Kaempferol 3-(2''-(Z)-p-coumaroylrhamnoside)

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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 Kaempferol 3-(2''-(Z)-p-coumaroylrhamnoside)
ChEBI ID CHEBI:192836
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H26O12
Net Charge 0
Average Mass 578.526
Monoisotopic Mass 578.14243
InChI InChI=1S/C30H26O12/c1-14-24(36)26(38)29(41-22(35)11-4-15-2-7-17(31)8-3-15)30(39-14)42-28-25(37)23-20(34)12-19(33)13-21(23)40-27(28)16-5-9-18(32)10-6-16/h2-14,24,26,29-34,36,38H,1H3/b11-4-/t14?,24-,26?,29-,30-/m0/s1
InChIKey XTSAKAIOOOOJPS-MVWDQYGTSA-N
SMILES O1C([C@H](O)C(O)[C@H](OC(=O)/C=C\C2=CC=C(O)C=C2)[C@@H]1OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(O)C=C5)C
Metabolite of Species Details
Cryptomeria (NCBI:txid3368) Found in needle (BTO:0000917). of strain Cryptomeria fortunei Hooibrenk See: MetaboLights Study
ChEBI Ontology
Outgoing Kaempferol 3-(2''-(Z)-p-coumaroylrhamnoside) (CHEBI:192836) is a flavonoids (CHEBI:72544)
Kaempferol 3-(2''-(Z)-p-coumaroylrhamnoside) (CHEBI:192836) is a glycoside (CHEBI:24400)
IUPAC Name
[(2S,3S,5R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
Manual Xrefs Databases
24844680 ChemSpider
LMPK12111938 LIPID MAPS
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