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Chemistry, part 2

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 > isoprenoid > terpenoid > sesquiterpenoid > stachybotrin g
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > stachybotrin g

Preferred term

stachybotrin g  

Type

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

Broader concept

charge

  • +1

formula

  • C27H39N2O5S

inchi

  • InChI=1S/C27H38N2O5S/c1-19(2)9-7-10-20(3)11-8-12-21(4)13-14-22-25(30)17-23-24(26(22)34-35(31,32)33)18-29-16-6-5-15-28-27(23)29/h9,11,13,17H,5-8,10,12,14-16,18H2,1-4H3,(H2,30,31,32,33)/p+1/b20-11+,21-13+

inchikey

  • NRWFTFPFIOQEDM-VZLKJUJQSA-O

mass

  • 503.680

monoisotopicmass

  • 503.25742

smiles

  • S(=O)(=O)(OC1=C(C(O)=CC2=C1C[N+]=3CCCCNC23)C/C=C(/CC/C=C(/CCC=C(C)C)/C)/C)O

subset

  • 2_STAR

synonym EXACT

  • [10-hydroxy-9-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,2,3,4,5,7-hexahydro-[1,3]diazepino[2,1-a]isoindol-6-ium-8-yl] hydrogen sulate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227231

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