CHEBI:140128 - myricetin 3-(3'''-6'''-diacetylglucosyl)-(1→4)-(2'',3''-diacetylrhamnoside)

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ChEBI Name myricetin 3-(3'''-6'''-diacetylglucosyl)-(1→4)-(2'',3''-diacetylrhamnoside)
ChEBI ID CHEBI:140128
ChEBI ASCII Name myricetin 3-(3'''-6'''-diacetylglucosyl)-(1->4)-(2'',3''-diacetylrhamnoside)
Stars This entity has been manually annotated by a third party.
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Formula C35H38O21
Net Charge 0
Average Mass 794.665
Monoisotopic Mass 794.19056
InChI InChI=1S/C35H38O21/c1-11-28(55-34-27(47)30(50-13(3)37)25(45)22(54-34)10-48-12(2)36)32(51-14(4)38)33(52-15(5)39)35(49-11)56-31-26(46)23-18(41)8-17(40)9-21(23)53-29(31)16-6-19(42)24(44)20(43)7-16/h6-9,11,22,25,27-28,30,32-35,40-45,47H,10H2,1-5H3/t11?,22?,25-,27+,28+,30?,32+,33?,34+,35+/m1/s1
InChIKey GZHXLFUJGJNXIY-RIEPTEGNSA-N
SMILES C1=C(C=C(C(=C1O)O)O)C=2OC3=C(C(C2O[C@H]4C([C@H]([C@H](C(O4)C)O[C@H]5[C@H](C([C@@H](C(O5)COC(=O)C)O)OC(=O)C)O)OC(=O)C)OC(=O)C)=O)C(=CC(=C3)O)O
ChEBI Ontology
Outgoing myricetin 3-(3'''-6'''-diacetylglucosyl)-(1→4)-(2'',3''-diacetylrhamnoside) (CHEBI:140128) is a flavonoids (CHEBI:72544)
myricetin 3-(3'''-6'''-diacetylglucosyl)-(1→4)-(2'',3''-diacetylrhamnoside) (CHEBI:140128) is a glycoside (CHEBI:24400)
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Last Modified
13 February 2018