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Concept information

organooxygen compound > ether > aromatic ether > acrovestone > biochanin a 7-o-rutinoside
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > isoflavonoid > biochanin a 7-o-rutinoside

Preferred term

biochanin a 7-o-rutinoside  

Type

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

Broader concept

charge

  • 0

formula

  • C28H32O14

inchi

  • InChI=1S/C28H32O14/c1-11-20(30)23(33)25(35)27(40-11)39-10-18-22(32)24(34)26(36)28(42-18)41-14-7-16(29)19-17(8-14)38-9-15(21(19)31)12-3-5-13(37-2)6-4-12/h3-9,11,18,20,22-30,32-36H,10H2,1-2H3/t11?,18?,20-,22+,23?,24-,25-,26?,27+,28+/m0/s1

inchikey

  • WWSNSDWQADMAJB-BUYITTQCSA-N

mass

  • 592.550

monoisotopicmass

  • 592.17921

smiles

  • O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC=C(C(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)CO[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C

subset

  • 2_STAR

synonym EXACT

  • 5-hydroxy-3-(4-methoxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197017

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