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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 > apigenin 7-(6''-malonylneohesperidoside)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > apigenin 7-(6''-malonylneohesperidoside)

Preferred term

apigenin 7-(6''-malonylneohesperidoside)  

Type

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

Broader concept

charge

  • 0

formula

  • C30H32O17

inchi

  • InChI=1S/C30H32O17/c1-11-23(37)25(39)27(41)29(43-11)47-28-26(40)24(38)19(10-42-21(36)9-20(34)35)46-30(28)44-14-6-15(32)22-16(33)8-17(45-18(22)7-14)12-2-4-13(31)5-3-12/h2-8,11,19,23-32,37-41H,9-10H2,1H3,(H,34,35)/t11?,19?,23-,24+,25-,26-,27?,28?,29-,30+/m0/s1

inchikey

  • FZDRRQITRWLLCV-FDUHKKDTSA-N

mass

  • 664.569

monoisotopicmass

  • 664.16395

smiles

  • O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)COC(=O)CC(O)=O)[C@@H]5OC([C@H](O)[C@H](O)C5O)C

subset

  • 2_STAR

synonym EXACT

  • 3-[[(3S,4S,6S)-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169094

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