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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-[p-coumaroyl-(->2)-[glucuronyl-(1->3)]-glucuronyl-(1->2)-glucuronide]
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > apigenin 7-[p-coumaroyl-(->2)-[glucuronyl-(1->3)]-glucuronyl-(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-[p-coumaroyl-(->2)-[glucuronyl-(1->3)]-glucuronyl-(1->2)-glucuronide]

Preferred term

apigenin 7-[p-coumaroyl-(->2)-[glucuronyl-(1->3)]-glucuronyl-(1->2)-glucuronide]  

Type

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

Broader concept

charge

  • 0

formula

  • C42H40O25

inchi

  • InChI=1S/C42H40O25/c43-16-6-1-14(2-7-16)3-10-23(47)62-36-31(63-40-29(52)25(48)26(49)32(64-40)37(54)55)30(53)34(39(58)59)66-42(36)67-35-28(51)27(50)33(38(56)57)65-41(35)60-18-11-19(45)24-20(46)13-21(61-22(24)12-18)15-4-8-17(44)9-5-15/h1-13,25-36,40-45,48-53H,(H,54,55)(H,56,57)(H,58,59)/b10-3+

inchikey

  • XBLARMNPRFOJOC-XCVCLJGOSA-N

mass

  • 944.757

monoisotopicmass

  • 944.18587

smiles

  • O(C1C(OC(=O)/C=C/C2=CC=C(O)C=C2)C(OC3C(O)C(O)C(OC3OC=4C=C5OC(=CC(=O)C5=C(O)C4)C6=CC=C(O)C=C6)C(O)=O)OC(C1O)C(O)=O)C7OC(C(O)C(O)C7O)C(O)=O

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:191525

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