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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > ligraminol c
organooxygen compound > carbonyl compound > carboxylic ester > ligraminol c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > ligraminol c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > ligraminol c

Preferred term

ligraminol c  

Type

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

Broader concept

charge

  • 0

formula

  • C23H28O6

has_functional_parent

has_role

inchi

  • InChI=1S/C23H28O6/c1-7-8-17-9-11-20(21(13-17)26-5)28-15(2)23(29-16(3)24)18-10-12-19(25-4)22(14-18)27-6/h7-15,23H,1-6H3/b8-7-/t15-,23+/m1/s1

inchikey

  • PYVVKTYHVHGNMI-ZJTDORCHSA-N

mass

  • 400.46480

monoisotopicmass

  • 400.18859

smiles

  • COc1ccc(cc1OC)[C@@H](OC(C)=O)[C@@H](C)Oc1ccc(cc1OC)/C=C/C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69665

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