CHEBI:192881 - Isorhamnetin 3-(6'''-acetylglucosyl)(1->6)-galactoside

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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-(6'''-acetylglucosyl)(1->6)-galactoside
ChEBI ID CHEBI:192881
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H34O18
Net Charge 0
Average Mass 682.584
Monoisotopic Mass 682.17451
InChI InChI=1S/C30H34O18/c1-10(31)43-8-17-20(35)23(38)25(40)29(46-17)44-9-18-21(36)24(39)26(41)30(47-18)48-28-22(37)19-14(34)6-12(32)7-16(19)45-27(28)11-3-4-13(33)15(5-11)42-2/h3-7,17-18,20-21,23-26,29-30,32-36,38-41H,8-9H2,1-2H3/t17?,18?,20-,21+,23?,24?,25-,26?,29-,30+/m1/s1
InChIKey HKKNCPBKBDCHTJ-BJDIMNSYSA-N
SMILES O1C([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)CO[C@@H]5OC([C@@H](O)C(O)[C@H]5O)COC(=O)C
Metabolite of Species Details
Cryptomeria (NCBI:txid3368) Found in needle (BTO:0000917). of strain Cryptomeria fortunei Hooibrenk See: MetaboLights Study
ChEBI Ontology
Outgoing Isorhamnetin 3-(6'''-acetylglucosyl)(1->6)-galactoside (CHEBI:192881) is a flavonoids (CHEBI:72544)
Isorhamnetin 3-(6'''-acetylglucosyl)(1->6)-galactoside (CHEBI:192881) is a glycoside (CHEBI:24400)
IUPAC Name
[(3S,5R,6R)-6-[[(3R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual Xrefs Databases
24845032 ChemSpider
LMPK12112337 LIPID MAPS
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