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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > dicarboxylic acid monoester > thermorubin a
organooxygen compound > carbonyl compound > carboxylic ester > dicarboxylic acid monoester > thermorubin a
organooxygen compound > carbonyl compound > carboxylic acid > dicarboxylic acid monoester > thermorubin a
organooxygen compound > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > thermorubin a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > thermorubin a
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > thermorubin a
organooxygen compound > ester > carboxylic ester > methyl ester > thermorubin a
organooxygen compound > carbonyl compound > carboxylic ester > methyl ester > thermorubin a

Preferred term

thermorubin a  

Type

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

Broader concept

charge

  • 0

formula

  • C32H24O12

inchi

  • InChI=1S/C32H24O12/c1-41-29-24(21(35)13-20(34)18-6-4-5-7-19(18)33)17(12-23(36)37)10-15-8-14-9-16-11-22(31(39)43-3)44-32(40)26(16)28(38)25(14)30(42-2)27(15)29/h4-11,13,33-34,38H,12H2,1-3H3,(H,36,37)/b20-13-

inchikey

  • GGEDVBUCHDZLTH-MOSHPQCFSA-N

mass

  • 600.52576

monoisotopicmass

  • 600.12678

smiles

  • COC(=O)c1cc2cc3cc4cc(CC(O)=O)c(C(=O)/C=C(/O)c5ccccc5O)c(OC)c4c(OC)c3c(O)c2c(=O)o1

subset

  • 3_STAR

synonym EXACT

  • {12-hydroxy-9-[(2Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-naphtho[2,3-g]isochromen-8-yl}acetic acid

synonym RELATED

  • 10,11-dimethoxy-12-hydroxy-9-(3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propenyl)-3-(methoxycarbonyl)-1-oxo-1H-anthra(2,3-c)pyran-8-acetic acid
  • Thermorubin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:48480

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