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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > ketone > aromatic ketone > (1s,5r,7s)-3-[(3,4-dihydroxyphenyl)-oxomethyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2s)-5-methyl-2-(1-methylethenyl)hex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > (1s,5r,7s)-3-[(3,4-dihydroxyphenyl)-oxomethyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2s)-5-methyl-2-(1-methylethenyl)hex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > (1s,5r,7s)-3-[(3,4-dihydroxyphenyl)-oxomethyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2s)-5-methyl-2-(1-methylethenyl)hex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
... > 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 > ketone > aromatic ketone > (1s,5r,7s)-3-[(3,4-dihydroxyphenyl)-oxomethyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2s)-5-methyl-2-(1-methylethenyl)hex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > (1s,5r,7s)-3-[(3,4-dihydroxyphenyl)-oxomethyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2s)-5-methyl-2-(1-methylethenyl)hex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione

Preferred term

(1s,5r,7s)-3-[(3,4-dihydroxyphenyl)-oxomethyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2s)-5-methyl-2-(1-methylethenyl)hex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione  

Type

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

Broader concept

charge

  • 0

formula

  • C38H50O6

inchi

  • InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,31,39-40H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28-,31?,37-,38+/m0/s1

inchikey

  • YESGFVCPMZHDNK-NVCNTAHISA-N

mass

  • 602.801

monoisotopicmass

  • 602.36074

smiles

  • CC(=CC[C@H]1C[C@]2(C(=O)C(C(=O)[C@](C2=O)(C1(C)C)CC=C(C)C)C(=O)C3=CC(=C(C=C3)O)O)C[C@H](CC=C(C)C)C(=C)C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125404

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