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Chemistry, part 2

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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 > isoprenoid > terpenoid > diterpenoid > 1-o-methyl 4-o-[[(5r,9s,13s)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl] butanedioate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > 1-o-methyl 4-o-[[(5r,9s,13s)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl] butanedioate

Preferred term

1-o-methyl 4-o-[[(5r,9s,13s)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl] butanedioate  

Type

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

Broader concept

charge

  • 0

formula

  • C25H38O4

inchi

  • InChI=1S/C25H38O4/c1-22-12-8-19-24(3)11-5-10-23(2,17-29-21(27)7-6-20(26)28-4)18(24)9-13-25(19,16-22)15-14-22/h14-15,18-19H,5-13,16-17H2,1-4H3/t18?,19?,22-,23+,24-,25?/m1/s1

inchikey

  • CNEWEMXPRRKCTL-ZTHVCKICSA-N

mass

  • 402.575

monoisotopicmass

  • 402.27701

smiles

  • O(C[C@]1(C2[C@](C3C4(C[C@](CC3)(C=C4)C)CC2)(CCC1)C)C)C(=O)CCC(OC)=O

subset

  • 2_STAR

synonym EXACT

  • 1-O-methyl 4-O-[[(5R,9S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl] butanedioate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182053

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