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Concept information

... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavonoid oligomer > 6-glucopyranosylprocyanidin b2

Preferred term

6-glucopyranosylprocyanidin b2  

Type

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

Broader concept

charge

  • 0

formula

  • C36H36O17

inchi

  • InChI=1S/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23-,27+,28-,30-,31+,32-,33-,34-,36?/m1/s1

inchikey

  • VRCSTDIDMJHJBX-XXXODXNESA-N

mass

  • 740.667

monoisotopicmass

  • 740.19525

smiles

  • O1C([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C2=C(O)C=3[C@@]([C@@H](O)[C@H](OC3C=C2O)C4=CC(O)=C(O)C=C4)(C=5C=6O[C@@H]([C@H](O)CC6C(O)=CC5O)C7=CC(O)=C(O)C=C7)[H]

subset

  • 2_STAR

synonym EXACT

  • (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:191576

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