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Chemistry, part 2

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > 1-[6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1h-cyclopenta[c]pyran-4-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > monoterpenoid > iridoid monoterpenoid > 1-[6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1h-cyclopenta[c]pyran-4-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > iridoid monoterpenoid > 1-[6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1h-cyclopenta[c]pyran-4-carboxylic acid

Preferred term

1-[6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1h-cyclopenta[c]pyran-4-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C25H30O13

inchi

  • InChI=1S/C25H30O13/c1-25(34)7-6-12-13(22(32)33)9-36-23(18(12)25)38-24-21(31)20(30)19(29)16(37-24)10-35-17(28)5-3-11-2-4-14(26)15(27)8-11/h2-5,8-9,12,16,18-21,23-24,26-27,29-31,34H,6-7,10H2,1H3,(H,32,33)

inchikey

  • AEBORMNUOJEQOL-UHFFFAOYSA-N

mass

  • 538.502

monoisotopicmass

  • 538.16864

smiles

  • OC1(C2C(CC1)C(=COC2OC3OC(C(O)C(O)C3O)COC(=O)C=CC4=CC(O)=C(O)C=C4)C(O)=O)C

subset

  • 2_STAR

synonym EXACT

  • 1-[6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181632

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