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Concept information

Preferred term

xanthonol  

Type

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

Broader concept

charge

  • 0

formula

  • C38H34O14

inchi

  • InChI=1S/C38H34O14/c1-16-13-21-27(33(45)29-19(40)9-11-23(42)37(29,15-39)51-21)31(43)25(16)26-17(2)14-22-28(32(26)44)34(46)30-20(41)10-12-24(38(30,52-22)36(48)49-3)50-35(47)18-7-5-4-6-8-18/h4-8,13-14,23-24,39,42-46H,9-12,15H2,1-3H3/t23-,24-,37?,38?/m1/s1

inchikey

  • IFAHLFGOCSKGOE-GJQANOTHSA-N

mass

  • 714.676

monoisotopicmass

  • 714.19486

smiles

  • O=C1C2=C(O)C3=C(O)C(C4=C(O)C=5C(O)=C6C(=O)CC[C@H](C6(CO)OC5C=C4C)O)=C(C)C=C3OC2(C(=O)OC)[C@H](OC(=O)C7=CC=CC=C7)CC1

subset

  • 2_STAR

synonym EXACT

  • methyl (4R)-4-benzoyloxy-8,9-dihydroxy-6-methyl-1-oxo-7-[(5R)-1,5,9-trihydroxy-10a-(hydroxymethyl)-3-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-3,4-dihydro-2H-xanthene-4a-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204577

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