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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 > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > glutamic acid derivative > 2-[(4s,5s,5as,9as)-4-methoxy-6,6,9a-trimethyl-5-[(2e,4e,6e)-octa-2,4,6-trienoyl]oxy-1-oxo-4,5,5a,7,8,9-hexahydro-3h-benzo[e]isoindol-2-yl]pentanedioic acid

Preferred term

2-[(4s,5s,5as,9as)-4-methoxy-6,6,9a-trimethyl-5-[(2e,4e,6e)-octa-2,4,6-trienoyl]oxy-1-oxo-4,5,5a,7,8,9-hexahydro-3h-benzo[e]isoindol-2-yl]pentanedioic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C29H39NO8

inchi

  • InChI=1S/C29H39NO8/c1-6-7-8-9-10-12-21(33)38-24-23(37-5)18-17-30(19(27(35)36)13-14-20(31)32)26(34)22(18)29(4)16-11-15-28(2,3)25(24)29/h6-10,12,19,23-25H,11,13-17H2,1-5H3,(H,31,32)(H,35,36)/b7-6+,9-8+,12-10+/t19?,23-,24+,25-,29+/m0/s1

inchikey

  • FXPWZCUQBSEHTH-QZRFOHQJSA-N

mass

  • 529.630

monoisotopicmass

  • 529.26757

smiles

  • O([C@H]1[C@@]2([C@](CCCC2(C)C)(C3=C([C@@H]1OC)CN(C3=O)C(CCC(O)=O)C(O)=O)C)[H])C(=O)/C=C/C=C/C=C/C

subset

  • 2_STAR

synonym EXACT

  • 2-[(4S,5S,5aS,9aS)-4-methoxy-6,6,9a-trimethyl-5-[(2E,4E,6E)-octa-2,4,6-trienoyl]oxy-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e]isoindol-2-yl]pentanedioic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182078

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