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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > quercetin 3-o-(6''-malonyl)-b-d-glucoside

Preferred term

quercetin 3-o-(6''-malonyl)-b-d-glucoside  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C24H22O15

inchi

  • InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14?,18-,20?,21?,24+/m1/s1

inchikey

  • NBQPHANHNTWDML-LFFSUSCNSA-N

mass

  • 550.425

monoisotopicmass

  • 550.09587

smiles

  • C=1C(=CC(=C2C1OC(=C(C2=O)O[C@H]3C(C([C@@H](C(O3)COC(CC(O)=O)=O)O)O)O)C4=CC=C(C(=C4)O)O)O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176890

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