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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate acid derivative > glucosiduronic acid > apigenin 7-glucuronosyl-(1->2)-glucuronide
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > apigenin 7-glucuronosyl-(1->2)-glucuronide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > apigenin 7-glucuronosyl-(1->2)-glucuronide

Preferred term

apigenin 7-glucuronosyl-(1->2)-glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C27H26O17

inchi

  • InChI=1S/C27H26O17/c28-9-3-1-8(2-4-9)13-7-12(30)15-11(29)5-10(6-14(15)41-13)40-27-23(19(34)18(33)22(43-27)25(38)39)44-26-20(35)16(31)17(32)21(42-26)24(36)37/h1-7,16-23,26-29,31-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20?,21?,22?,23?,26-,27+/m0/s1

inchikey

  • SJFTVAAHLRFBST-GQIZHPGISA-N

mass

  • 622.488

monoisotopicmass

  • 622.11700

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)C(O)=O)[C@@H]5OC([C@@H](O)[C@H](O)C5O)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (3S,4S,6R)-6-[(2S,4S,5S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188163

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