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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > epicoccin d
organooxygen compound > epicoccin d

Preferred term

epicoccin d  

Type

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

Broader concept

charge

  • 0

formula

  • C18H18N2O6S2

has_functional_parent

inchi

  • InChI=1S/C18H18N2O6S2/c21-7-1-9-13(23)11-5(7)3-17(27-9)15(25)20-12-6-4-18(20,16(26)19(11)17)28-10(14(12)24)2-8(6)22/h5-6,9-14,23-24H,1-4H2/t5-,6-,9+,10+,11-,12-,13-,14-,17+,18+/m0/s1

inchikey

  • KFDSXBGPHVNSIT-DXOBHMFTSA-N

mass

  • 422.470

monoisotopicmass

  • 422.06063

smiles

  • S1[C@@]23N(C(=O)[C@@]45S[C@@H]6CC([C@@H]([C@H](N4C2=O)[C@H]6O)C5)=O)[C@@H]7[C@H]([C@H]1CC(=O)[C@@H]7C3)O

subset

  • 2_STAR

synonym EXACT

  • (1R,4S,5R,6R,9R,11R,14S,15R,16R,19R)-5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.16,11.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202339

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