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Concept information

Preferred term

xanthoquinodin a9  

Type

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

Broader concept

charge

  • 0

formula

  • C31H26O11

inchi

  • InChI=1S/C31H26O11/c1-11-7-14-20(16(33)8-11)26(37)23-24(35)13-5-6-30(23,28(14)39)10-12-9-17-21(25(36)19(12)13)27(38)22-15(32)3-4-18(34)31(22,42-17)29(40)41-2/h5-9,13,18,28,33-34,36-39H,3-4,10H2,1-2H3/t13-,18-,28-,30-,31-/m0/s1

inchikey

  • VLSQSRKFBJKCDM-PZDSXNNWSA-N

mass

  • 574.538

monoisotopicmass

  • 574.14751

smiles

  • O=C1C2=C(O)C3=C(O)C=C(C)C=C3[C@@H]([C@]24C=C[C@H]1C5=C(O)C=6C(O)=C7C(=O)CC[C@@H]([C@]7(C(=O)OC)OC6C=C5C4)O)O

subset

  • 2_STAR

synonym EXACT

  • methyl (1R,7R,8S,17S,27S)-8,13,15,20,22,27-hexahydroxy-24-methyl-11,18-dioxo-6-oxaheptacyclo[15.10.2.01,19.03,16.05,14.07,12.021,26]nonacosa-3,5(14),12,15,19,21(26),22,24,28-nonaene-7-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215737

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