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Chemistry, part 2

Content language

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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 > atlanticone b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > atlanticone b

Preferred term

atlanticone b  

Type

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

Broader concept

charge

  • 0

formula

  • C33H54O5

inchi

  • InChI=1S/C33H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(34)37-25-32-28(35)31(36)24-29(2,3)23-26(31)30(4)21-22-33(30,32)38-32/h12-13,26,36H,5-11,14-25H2,1-4H3/b13-12+/t26-,30-,31+,32-,33+/m1/s1

inchikey

  • NKIWJNBJTMMKSE-MALBGOLISA-N

mass

  • 530.790

monoisotopicmass

  • 530.39712

smiles

  • O=C1[C@@]2(O)[C@@H]([C@]3(CC[C@]43[C@@]1(O4)COC(=O)CCCCCCC/C=C/CCCCCCCC)C)CC(C2)(C)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,2R,5S,7S,9S)-9-hydroxy-2,11,11-trimethyl-8-oxo-6-oxatetracyclo[7.3.0.02,5.05,7]dodecan-7-yl]methyl (E)-octadec-9-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201199

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