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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 > monoterpenoid > 26-carboxylyngbyatoxin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > 26-carboxylyngbyatoxin a

Preferred term

26-carboxylyngbyatoxin a  

Type

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

Broader concept

charge

  • 0

formula

  • C27H37N3O4

inchi

  • InChI=1S/C27H37N3O4/c1-7-27(5,12-8-9-17(4)26(33)34)20-10-11-21-22-18(14-28-23(20)22)13-19(15-31)29-25(32)24(16(2)3)30(21)6/h7,9-11,14,16,19,24,28,31H,1,8,12-13,15H2,2-6H3,(H,29,32)(H,33,34)/b17-9+/t19-,24-,27-/m0/s1

inchikey

  • OGEVXSGZCJIXOY-ZLAQPCIMSA-N

mass

  • 467.610

monoisotopicmass

  • 467.27841

smiles

  • O=C1N[C@@H](CC2=CNC=3C2=C(N([C@H]1C(C)C)C)C=CC3[C@@](C=C)(CC/C=C(/C(=O)O)/C)C)CO

subset

  • 2_STAR

synonym EXACT

  • (2E,6R)-6-[(10S,13S)-13-(hydroxymethyl)-9-methyl-11-oxo-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-5-yl]-2,6-dimethylocta-2,7-dienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219905

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