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

Preferred term

secochalasin a  

Type

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

Broader concept

charge

  • 0

formula

  • C25H37NO6

inchi

  • InChI=1S/C25H37NO6/c1-14(2)11-19-23-17(5)16(4)13-18(12-15(3)7-10-22(30)32-6)25(23,24(31)26-19)20(27)8-9-21(28)29/h12-14,17-19,23H,7-11H2,1-6H3,(H,26,31)(H,28,29)/b15-12+/t17-,18+,19+,23+,25-/m1/s1

inchikey

  • UBYJJKLHALKIBE-VGTUEEEGSA-N

mass

  • 447.572

monoisotopicmass

  • 447.26209

smiles

  • O=C1N[C@@H](CC(C)C)[C@H]2[C@]1(C(=O)CCC(=O)O)[C@H](C=C(C)[C@H]2C)/C=C(/CCC(=O)OC)/C

subset

  • 2_STAR

synonym EXACT

  • 4-[(1S,3aS,4S,7S,7aR)-4-[(E)-5-methoxy-2-methyl-5-oxopent-1-enyl]-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-3a-yl]-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224653

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