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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 > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinone > tpu-0037-d
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinone > tpu-0037-d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinone > tpu-0037-d
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinone > tpu-0037-d
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > pyrrolidinone > tpu-0037-d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > pyrrolidinone > tpu-0037-d
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > pyrrolidinone > tpu-0037-d

Preferred term

tpu-0037-d  

Type

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

Broader concept

charge

  • 0

formula

  • C47H74N4O9

inchi

  • InChI=1S/C47H74N4O9/c1-27(38(54)12-8-13-39(55)28(2)16-21-34(53)25-32-10-9-23-51(32)46(48)49)15-19-33(52)20-17-29(3)43(58)30(4)18-22-36-31(5)24-35-37(11-7-14-40(35)56)47(36,6)44(59)42-41(57)26-50-45(42)60/h8,12,15-17,19,24,27,30,32-40,43,52-56,58-59H,7,9-11,13-14,18,20-23,25-26H2,1-6H3,(H3,48,49)(H,50,60)/b12-8+,19-15+,28-16+,29-17+,44-42?

inchikey

  • XTPPJCGNCIQOEN-WLBYFZRGSA-N

mass

  • 839.128

monoisotopicmass

  • 838.54558

smiles

  • O=C1NCC(C1=C(O)C2(C3C(C=C(C2CCC(C(O)/C(=C/CC(O)/C=C/C(C(O)/C=C/CC(O)/C(=C/CC(O)CC4N(C(=N)N)CCC4)/C)C)/C)C)C)C(O)CCC3)C)=O

subset

  • 2_STAR

synonym EXACT

  • 2-[(4E,8E,12E,16E)-21-[1-[(2,4-dioxopyrrolidin-3-ylidene)-hydroxymethyl]-5-hydroxy-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-2,6,10,14,18-pentahydroxy-5,11,17,19-tetramethylhenicosa-4,8,12,16-tetraenyl]pyrrolidine-1-carboximidamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211995

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