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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > clematin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > clematin

Preferred term

clematin  

Type

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

Broader concept

charge

  • 0

formula

  • C28H34O15

inchi

  • InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-16(42-18(20)7-12)11-3-4-13(29)17(5-11)38-2/h3-7,10,16,19,21-30,32-37H,8-9H2,1-2H3/t10?,16?,19?,21-,22+,23?,24-,25-,26?,27+,28+/m0/s1

inchikey

  • APSNPMVGBGZYAJ-YMYIZJMGSA-N

mass

  • 610.565

monoisotopicmass

  • 610.18977

smiles

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

subset

  • 2_STAR

synonym EXACT

  • 5-hydroxy-2-(4-hydroxy-3-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]oxy-2,3-dihydrochromen-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185258

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