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Chemistry, part 1

Content language

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Concept information

organooxygen compound > 4-[(3-carboxypropanoyl)oxy]-3,5-bis(/{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy/})-1-hydroxycyclohexane-1-carboxylic acid

Preferred term

4-[(3-carboxypropanoyl)oxy]-3,5-bis(/{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy/})-1-hydroxycyclohexane-1-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C29H28O15

has_functional_parent

inchi

  • InChI=1S/C29H28O15/c30-17-5-1-15(11-19(17)32)3-8-24(36)42-21-13-29(41,28(39)40)14-22(27(21)44-26(38)10-7-23(34)35)43-25(37)9-4-16-2-6-18(31)20(33)12-16/h1-6,8-9,11-12,21-22,27,30-33,41H,7,10,13-14H2,(H,34,35)(H,39,40)/b8-3+,9-4+

inchikey

  • DNZQDZDGNZZGCU-BQYBEJQRSA-N

mass

  • 616.528

monoisotopicmass

  • 616.14282

smiles

  • O(C1C(OC(=O)/C=C/C2=CC(O)=C(O)C=C2)CC(O)(CC1OC(=O)/C=C/C3=CC(O)=C(O)C=C3)C(O)=O)C(=O)CCC(O)=O

subset

  • 2_STAR

synonym EXACT

  • 4-(3-carboxypropanoyloxy)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185261

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