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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > methylsulfomycin i

Preferred term

methylsulfomycin i  

Type

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

Broader concept

charge

  • 0

formula

  • C55H54N16O16S2

inchi

  • InChI=1S/C55H54N16O16S2/c1-13-30-51-69-37(27(10)86-51)48(82)60-23(6)43(77)61-24(7)50-68-36(26(9)85-50)39-29(14-15-31(62-39)44(78)59-22(5)42(76)58-21(4)41(75)57-20(3)40(56)74)54-65-34(17-88-54)46(80)67-35(25(8)73)47(81)64-32(16-19(2)72)52-70-38(28(11)87-52)49(83)71-53(84-12)55-66-33(18-89-55)45(79)63-30/h13-19,25,35,53,72-73H,3-7H2,1-2,8-12H3,(H2,56,74)(H,57,75)(H,58,76)(H,59,78)(H,60,82)(H,61,77)(H,63,79)(H,64,81)(H,67,80)(H,71,83)/b30-13-,32-16-

inchikey

  • AGPXPIZWMMLJPG-CBZXLTCLSA-N

mass

  • 1259.24500

monoisotopicmass

  • 1258.33451

smiles

  • COC1NC(=O)c2nc(oc2C)/C(NC(=O)C(NC(=O)c2csc(n2)-c2ccc(nc2-c2nc(oc2C)C(=C)NC(=O)C(=C)NC(=O)c2nc(oc2C)/C(NC(=O)c2csc1n2)=C/C)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)C(C)O)=C/C(C)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:80069

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