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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > anthocyanidin glycoside > cyanidin 3-(2g-xylosylrutinoside)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > anthocyanidin cation > anthocyanidin glycoside > cyanidin 3-(2g-xylosylrutinoside)
... > chemical entity > molecular entity > ion > cation > organic cation > anthocyanidin cation > anthocyanidin glycoside > cyanidin 3-(2g-xylosylrutinoside)
... > chemical entity > molecular entity > ion > organic ion > organic cation > anthocyanidin cation > anthocyanidin glycoside > cyanidin 3-(2g-xylosylrutinoside)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > anthocyanidin cation > anthocyanidin glycoside > cyanidin 3-(2g-xylosylrutinoside)

Preferred term

cyanidin 3-(2g-xylosylrutinoside)  

Type

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

Broader concept

charge

  • +1

formula

  • C32H39O19

inchi

  • InChI=1S/C32H38O19/c1-10-21(38)24(41)27(44)30(47-10)46-9-20-23(40)25(42)29(51-31-26(43)22(39)17(37)8-45-31)32(50-20)49-19-7-13-15(35)5-12(33)6-18(13)48-28(19)11-2-3-14(34)16(36)4-11/h2-7,10,17,20-27,29-32,37-44H,8-9H2,1H3,(H3-,33,34,35,36)/p+1/t10?,17-,20?,21+,22?,23-,24+,25?,26-,27?,29?,30-,31+,32-/m1/s1

inchikey

  • ZSWXIMXLLJRVFT-HGUBBEBESA-O

mass

  • 727.644

monoisotopicmass

  • 727.20801

smiles

  • O1C([C@@H](O)C(O)C(O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)[C@@H]1OC=3C(=[O+]C=4C(C3)=C(O)C=C(O)C4)C5=CC(O)=C(O)C=C5)CO[C@@H]6OC([C@H](O)[C@H](O)C6O)C

subset

  • 2_STAR

synonym EXACT

  • (2R,4S,5R)-2-[[(3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:177107

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