CHEBI:192943 - Kaempferol 3-(6G-malonylneohesperidoside)

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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-(6G-malonylneohesperidoside)
ChEBI ID CHEBI:192943
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H32O18
Net Charge 0
Average Mass 680.568
Monoisotopic Mass 680.15886
InChI InChI=1S/C30H32O18/c1-10-20(37)23(40)25(42)29(44-10)48-28-24(41)21(38)16(9-43-18(36)8-17(34)35)46-30(28)47-27-22(39)19-14(33)6-13(32)7-15(19)45-26(27)11-2-4-12(31)5-3-11/h2-7,10,16,20-21,23-25,28-33,37-38,40-42H,8-9H2,1H3,(H,34,35)/t10?,16?,20-,21+,23?,24-,25-,28?,29-,30-/m0/s1
InChIKey JTOOPMHFLOLUPJ-FAUKXPETSA-N
SMILES O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)COC(=O)CC(O)=O)[C@@H]5OC([C@H](O)C(O)[C@@H]5O)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-(6G-malonylneohesperidoside) (CHEBI:192943) is a flavonoids (CHEBI:72544)
Kaempferol 3-(6G-malonylneohesperidoside) (CHEBI:192943) is a glycoside (CHEBI:24400)
IUPAC Name
3-[[(3S,4S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Manual Xrefs Databases
24844690 ChemSpider
LMPK12111948 LIPID MAPS
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