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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > tertiary alcohol > comazaphilone e
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > comazaphilone e
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > comazaphilone e
organic aromatic compound > aromatic ether > comazaphilone e
organooxygen compound > ester > carboxylic ester > benzoate ester > comazaphilone e
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > comazaphilone e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > benzenediols > catechols > comazaphilone e
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > benzenediols > catechols > comazaphilone e
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > benzenediols > catechols > comazaphilone e
organic aromatic compound > phenols > benzenediols > catechols > comazaphilone e

Preferred term

comazaphilone e  

Type

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

Broader concept

charge

  • 0

formula

  • C22H24O8

has_role

inchi

  • InChI=1S/C22H24O8/c1-5-6-13-8-12-9-16(22(3,27)20(25)14(12)10-29-13)30-21(26)17-11(2)7-15(23)18(24)19(17)28-4/h5-8,16,23-24,27H,9-10H2,1-4H3/b6-5+/t16-,22-/m1/s1

inchikey

  • VWYGBXGOGQHZHM-JBAXFHHXSA-N

mass

  • 416.42120

monoisotopicmass

  • 416.14712

smiles

  • COc1c(O)c(O)cc(C)c1C(=O)O[C@@H]1CC2=C(COC(/C=C/C)=C2)C(=O)[C@]1(C)O

subset

  • 3_STAR

synonym EXACT

  • rel-(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(1E)-prop-1-en-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-6-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70014

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