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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 > penicisulfuranol d
organooxygen compound > penicisulfuranol d

Preferred term

penicisulfuranol d  

Type

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

Broader concept

charge

  • 0

formula

  • C23H27ClN2O8S2

has_functional_parent

inchi

  • InChI=1S/C23H27ClN2O8S2/c1-25-19(28)22(36-5)10-21(30)14(24)9-7-12(27)17(21)34-26(22)20(29)23(25)18(35-4)11-6-8-13(31-2)16(32-3)15(11)33-23/h6-9,12,14,17-18,27,30H,10H2,1-5H3/t12-,14-,17+,18-,21+,22-,23+/m1/s1

inchikey

  • RVQNEXGEFBVNJZ-IXFSHVHNSA-N

mass

  • 559.050

monoisotopicmass

  • 558.08974

smiles

  • Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@@]3(SC)C(=O)N(C)[C@]4(C(N3O2)=O)OC=5C(OC)=C(OC)C=CC5[C@H]4SC

subset

  • 2_STAR

synonym EXACT

  • (2R,3R,6'aS,7'R,10'R,10'aR,11'aR)-10'-chloro-7',10'a-dihydroxy-6,7-dimethoxy-2'-methyl-3,11'a-bis(methylsulanyl)spiro[3H-1-benzouran-2,3'-6a,7,10,11-tetrahydropyrazino[1,2-b][1,2]benzoxazine]-1',4'-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206440

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