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Chemistry, part 1

Content language

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Concept information

organooxygen compound > rubratoxin acid e

Preferred term

rubratoxin acid e  

Type

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

Broader concept

charge

  • 0

formula

  • C27H40O7

has_functional_parent

inchi

  • InChI=1S/C27H40O7/c1-3-5-7-9-10-12-14-19-17-21-20(26(32)34-27(21)33)15-18(13-11-8-6-4-2)16-22(24(28)29)23(19)25(30)31/h18-19H,3-17H2,1-2H3,(H,28,29)(H,30,31)/b23-22-/t18-,19-/m1/s1

inchikey

  • GOPLCHHJWCAECO-LUYIRDKVSA-N

mass

  • 476.610

monoisotopicmass

  • 476.27740

smiles

  • O=C1OC(=O)C2=C1C[C@H](C(=C(C(=O)O)C[C@@H](C2)CCCCCC)C(=O)O)CCCCCCCC

subset

  • 2_STAR

synonym EXACT

  • (5R,6Z,9S)-9-hexyl-5-octyl-1,3-dioxo-5,8,9,10-tetrahydro-4H-cyclonona[c]uran-6,7-dicarboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225796

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