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Concept information

... > organooxygen compound > ester > lactone > gamma-lactone > butenolide > dihydrotrichotetronine
... > organooxygen compound > oxacycle > lactone > gamma-lactone > butenolide > dihydrotrichotetronine
organooxygen compound > oxacycle > furans > butenolide > dihydrotrichotetronine

Preferred term

dihydrotrichotetronine  

Type

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

Broader concept

charge

  • 0

formula

  • C28H34O8

inchi

  • InChI=1S/C28H34O8/c1-7-9-11-13-16(29)18-20-21(28(6)22(31)15(3)24(33)36-28)19(17(30)14-12-10-8-2)26(4,23(18)32)25(34)27(20,5)35/h7-11,13,19-21,29,31,35H,12,14H2,1-6H3/b9-7+,10-8+,13-11+,18-16-/t19-,20-,21-,26-,27?,28+/m1/s1

inchikey

  • KCPUSSJDCHTZSH-WLBJBHMBSA-N

mass

  • 498.572

monoisotopicmass

  • 498.22537

smiles

  • O=C1/C(=C(/O)/C=C/C=C/C)/[C@H]2C(O)(C)C([C@@]1([C@H](C(=O)CC/C=C/C)[C@H]2[C@@]3(OC(=O)C(=C3O)C)C)C)=O

subset

  • 2_STAR

synonym EXACT

  • (1R,4S,5Z,7R,8S)-7-[(E)-hex-4-enoyl]-3-hydroxy-8-[(2S)-3-hydroxy-2,4-dimethyl-5-oxouran-2-yl]-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198035

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