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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

indigotide b  

Type

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

charge

  • 0

formula

  • C22H26O10

inchi

  • InChI=1S/C22H26O10/c1-8-9(2)30-12-5-10-4-11(24)6-13(15(10)18(26)16(12)17(8)25)31-22-20(28)19(27)21(29-3)14(7-23)32-22/h4-6,8-9,14,19-24,26-28H,7H2,1-3H3/t8-,9-,14+,19+,20+,21+,22+/m0/s1

inchikey

  • AIUWTUISVMSLIC-WCHVAJKMSA-N

mass

  • 450.440

monoisotopicmass

  • 450.15260

smiles

  • O=C1C2=C(O)C3=C(O[C@@H]4O[C@@H]([C@@H](OC)[C@@H]([C@H]4O)O)CO)C=C(O)C=C3C=C2O[C@H]([C@@H]1C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,3S)-6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5,8-dihydroxy-2,3-dimethyl-2,3-dihydrobenzo[g]chromen-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204608

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