CHEBI:140099 - acacetin 7-O-[6''-O-glucosyl]-2''-O-(3'''-acetylrhamnosyl)glucoside

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ChEBI Name acacetin 7-O-[6''-O-glucosyl]-2''-O-(3'''-acetylrhamnosyl)glucoside
ChEBI ID CHEBI:140099
ChEBI ASCII Name acacetin 7-O-[6''-O-glucosyl]-2''-O-(3'''-acetylrhamnosyl)glucoside
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C36H44O20
Net Charge 0
Average Mass 796.724
Monoisotopic Mass 796.24259
InChI InChI=1S/C36H44O20/c1-13-25(41)32(51-14(2)38)31(47)35(50-13)56-33-29(45)27(43)23(12-49-34-30(46)28(44)26(42)22(11-37)54-34)55-36(33)52-17-8-18(39)24-19(40)10-20(53-21(24)9-17)15-4-6-16(48-3)7-5-15/h4-10,13,22-23,25-37,39,41-47H,11-12H2,1-3H3/t13?,22?,23?,25-,26+,27+,28?,29?,30-,31?,32-,33-,34+,35-,36+/m0/s1
InChIKey CQOUYNHJMDGOBI-KXDAAZSVSA-N
SMILES C1(=C2C(=CC(=C1)O[C@H]3[C@H](C([C@@H](C(O3)CO[C@H]4[C@H](C([C@@H](C(O4)CO)O)O)O)O)O)O[C@H]5C([C@H]([C@H](C(O5)C)O)OC(C)=O)O)OC(=CC2=O)C6=CC=C(C=C6)OC)O
ChEBI Ontology
Outgoing acacetin 7-O-[6''-O-glucosyl]-2''-O-(3'''-acetylrhamnosyl)glucoside (CHEBI:140099) is a flavonoids (CHEBI:72544)
acacetin 7-O-[6''-O-glucosyl]-2''-O-(3'''-acetylrhamnosyl)glucoside (CHEBI:140099) is a glycoside (CHEBI:24400)
Manual Xref Database
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Last Modified
13 February 2018