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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > isariotin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > isariotin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > isariotin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > isariotin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid > medium-chain fatty acid > isariotin b

Preferred term

isariotin b  

Type

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

Broader concept

charge

  • 0

formula

  • C21H31NO8

inchi

  • InChI=1S/C21H31NO8/c23-13(9-7-5-3-1-2-4-6-8-10-14(24)25)22-12-11-21(29)19(28)15(16(12)26)17(27)18-20(21)30-18/h7,9,12,15-18,20,26-27,29H,1-6,8,10-11H2,(H,22,23)(H,24,25)/b9-7+/t12-,15-,16-,17-,18-,20-,21+/m0/s1

inchikey

  • GCOQLRRFBKJAPF-DBGSMAKUSA-N

mass

  • 425.478

monoisotopicmass

  • 425.20497

smiles

  • O=C1[C@@]2(O)[C@H]3O[C@H]3[C@H]([C@@H]1[C@@H](O)[C@H](C2)NC(=O)/C=C/CCCCCCCCC(=O)O)O

subset

  • 2_STAR

synonym EXACT

  • (E)-12-oxo-12-[[(1S,2S,4S,5S,6S,7R,8S)-1,5,7-trihydroxy-10-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl]amino]dodec-10-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205760

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