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Concept information

Preferred term

julichrome q6 glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C25H28O12

inchi

  • InChI=1S/C25H28O12/c1-9(35-10(2)26)17-12-7-11-5-4-6-14(15(11)18(28)16(12)13(27)8-25(17,3)34)36-24-21(31)19(29)20(30)22(37-24)23(32)33/h4-7,9,17,19-22,24,28-31,34H,8H2,1-3H3,(H,32,33)/t9-,17-,19+,20+,21-,22+,24-,25+/m1/s1

inchikey

  • HMHKLPIPMGRQSG-SYYMLNSKSA-N

mass

  • 520.487

monoisotopicmass

  • 520.15808

smiles

  • O=C1C2=C(O)C3=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]4O)O)C=CC=C3C=C2[C@@H]([C@H](OC(=O)C)C)[C@](C1)(O)C

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4S,5R,6S)-6-[[(5S,6S)-5-[(1R)-1-acetyloxyethyl]-6,9-dihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221544

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