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Chemistry, part 1

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Concept information

organooxygen compound > rubratoxin acid d

Preferred term

rubratoxin acid d  

Type

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

Broader concept

charge

  • 0

formula

  • C29H40O9

has_functional_parent

inchi

  • InChI=1S/C29H40O9/c1-3-4-5-6-7-11-14-21-18-23-22(28(35)38-29(23)36)16-20(13-10-8-9-12-15-37-19(2)30)17-24(26(31)32)25(21)27(33)34/h9,12,20-21H,3-8,10-11,13-18H2,1-2H3,(H,31,32)(H,33,34)/b12-9+,25-24-/t20-,21-/m1/s1

inchikey

  • VBECZCIXKOXEHS-IVIALQSKSA-N

mass

  • 532.630

monoisotopicmass

  • 532.26723

smiles

  • O=C1OC(=O)C2=C1C[C@H](C(=C(C(=O)O)C[C@@H](C2)CCC/C=C/COC(=O)C)C(=O)O)CCCCCCCC

subset

  • 2_STAR

synonym EXACT

  • (5R,6Z,9S)-9-[(E)-6-acetyloxyhex-4-enyl]-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:225791

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