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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]butanedioic 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]butanedioic 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]butanedioic 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]butanedioic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C27H31NO8

inchi

  • InChI=1S/C27H31NO8/c1-4-6-7-8-9-11-21(29)23-19-13-16-12-17(10-5-2)28(20(25(33)34)14-22(30)31)15-18(16)24(32)27(19,3)36-26(23)35/h5,10,12-13,15,20H,4,6-9,11,14H2,1-3H3,(H,30,31)(H,33,34)/b10-5+/t20-,27-/m1/s1

inchikey

  • HUIJYERZPWDBIF-IIDJQOACSA-N

mass

  • 497.544

monoisotopicmass

  • 497.20497

smiles

  • O=C1C=2C(C=C(/C=C/C)N(C2)[C@@H](C(=O)O)CC(=O)O)=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]butanedioic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227787

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