Concept information
Preferred term
سیانیدین 3 O [2'' O (گزیلوزیل) 6'' O (p O (گلوکوزیل) p کوماروئیل) گلوکوزید] 5 O گلوکوزید
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- +1
formula
- C47H55O27
inchi
- InChI=1S/C47H54O27/c48-13-28-33(56)36(59)40(63)45(71-28)67-20-5-1-17(2-6-20)3-8-31(54)65-16-30-35(58)38(61)43(74-44-39(62)32(55)24(53)15-66-44)47(73-30)70-27-12-21-25(68-42(27)18-4-7-22(51)23(52)9-18)10-19(50)11-26(21)69-46-41(64)37(60)34(57)29(14-49)72-46/h1-12,24,28-30,32-41,43-49,53,55-64H,13-16H2,(H2-,50,51,52)/p+1/b8-3+/t24-,28?,29?,30?,32-,33-,34-,35-,36?,37?,38?,39?,40+,41+,43+,44+,45-,46-,47-/m1/s1
inchikey
- OPWPCWHMCUWCGG-XKYKWVHPSA-O
mass
- 1051.929
monoisotopicmass
- 1051.29252
smiles
- O([C@H]1C(O)[C@H](O)C(O[C@H]1OC=2C=C3C(O[C@@H]4OC([C@@H](O)C(O)[C@@H]4O)CO)=CC(O)=CC3=[O+]C2C5=CC(O)=C(O)C=C5)COC(=O)/C=C/C6=CC=C(O[C@@H]7OC([C@@H](O)C(O)[C@@H]7O)CO)C=C6)[C@@H]8OC[C@@H](O)[C@@H](O)C8O
subset
- 2_STAR
synonym EXACT
- [(3S,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl (E)-3-[4-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:177056
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