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

Concept information

Preferred term

6 هیدروکسی دلفینیدین 3 روتینوزید  

Type

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

charge

  • +1

formula

  • C27H31O17

inchi

  • InChI=1S/C27H30O17/c1-7-16(31)21(36)23(38)26(41-7)40-6-15-20(35)22(37)24(39)27(44-15)43-14-4-9-13(5-12(30)19(34)17(9)32)42-25(14)8-2-10(28)18(33)11(29)3-8/h2-5,7,15-16,20-24,26-27,31,35-39H,6H2,1H3,(H5-,28,29,30,32,33,34)/p+1/t7?,15?,16-,20+,21-,22?,23?,24?,26+,27+/m0/s1

inchikey

  • ROXHSXZJNQVAKD-HYWHQFHVSA-O

mass

  • 627.527

monoisotopicmass

  • 627.15558

smiles

  • O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=C([O+]=C3C(=C2)C(O)=C(O)C(O)=C3)C4=CC(O)=C(O)C(O)=C4)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C

subset

  • 2_STAR

synonym EXACT

  • 2-(3,4,5-trihydroxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromenylium-5,6,7-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:186497

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