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Chemistry, part 3

Content language

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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 > polyketide > (2r)-2-[(9ar)-9a-methyl-3-octanoyl-2,9-dioxo-6-[(e)-prop-1-enyl]uro[3,2-g]isoquinolin-7-yl]propanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > polyketide > (2r)-2-[(9ar)-9a-methyl-3-octanoyl-2,9-dioxo-6-[(e)-prop-1-enyl]uro[3,2-g]isoquinolin-7-yl]propanoic acid
... > 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 > polyketide > (2r)-2-[(9ar)-9a-methyl-3-octanoyl-2,9-dioxo-6-[(e)-prop-1-enyl]uro[3,2-g]isoquinolin-7-yl]propanoic acid

Preferred term

(2r)-2-[(9ar)-9a-methyl-3-octanoyl-2,9-dioxo-6-[(e)-prop-1-enyl]uro[3,2-g]isoquinolin-7-yl]propanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C26H31NO6

inchi

  • InChI=1S/C26H31NO6/c1-5-7-8-9-10-12-21(28)22-20-14-17-13-18(11-6-2)27(16(3)24(30)31)15-19(17)23(29)26(20,4)33-25(22)32/h6,11,13-16H,5,7-10,12H2,1-4H3,(H,30,31)/b11-6+/t16-,26-/m1/s1

inchikey

  • QIFKDKYLKWDIPS-PZRXTKJRSA-N

mass

  • 453.535

monoisotopicmass

  • 453.21514

smiles

  • O=C1C=2C(C=C(/C=C/C)N(C2)[C@@H](C(=O)O)C)=CC=3[C@]1(OC(=O)C3C(=O)CCCCCCC)C

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[(9aR)-9a-methyl-3-octanoyl-2,9-dioxo-6-[(E)-prop-1-enyl]uro[3,2-g]isoquinolin-7-yl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220314

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