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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > benzofurans > 2-benzofurans > trichothecrotocin e
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > 2-benzofurans > trichothecrotocin e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > 2-benzofurans > trichothecrotocin e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > 2-benzofurans > trichothecrotocin e
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > 2-benzofurans > trichothecrotocin e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > 2-benzofurans > trichothecrotocin e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > 2-benzofurans > trichothecrotocin e

Preferred term

trichothecrotocin e  

Type

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

Broader concept

charge

  • 0

formula

  • C22H30O8

inchi

  • InChI=1S/C22H30O8/c1-10-6-7-13-12(8-10)15(29-21(13,3)4)11(2)9-14(23)22-17(24)20(26)28-16(18(22)30-22)19(25)27-5/h8-9,12-16,18,20,23,26H,6-7H2,1-5H3/b11-9-/t12-,13+,14-,15+,16-,18-,20-,22+/m1/s1

inchikey

  • SLTDLLXYTKXSEU-BXWZGDRGSA-N

mass

  • 422.474

monoisotopicmass

  • 422.19407

smiles

  • O=C1[C@@]2(O[C@@H]2[C@H](C(=O)OC)O[C@H]1O)[C@H](O)/C=C(/[C@@H]3OC(C)(C)[C@@H]4[C@H]3C=C(CC4)C)/C

subset

  • 2_STAR

synonym EXACT

  • methyl (1R,2R,4R,6R)-6-[(Z,1R)-3-[(1R,3aS,7aR)-3,3,6-trimethyl-3a,4,5,7a-tetrahydro-1H-2-benzouran-1-yl]-1-hydroxybut-2-enyl]-4-hydroxy-5-oxo-3,7-dioxabicyclo[4.1.0]heptane-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224736

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