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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > ansatrienin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > ansatrienin a
organooxygen compound > carboxamide > lactam > ansatrienin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > ansatrienin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > ansatrienin a
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > ansatrienin a

Preferred term

ansatrienin a  

Type

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

Broader concept

charge

  • 0

formula

  • C36H48N2O8

inchi

  • InChI=1S/C36H48N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,41H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5+,12-7+,18-11+,23-14-/t24-,25+,29-,31-,33-/m0/s1

inchikey

  • WWUVMHRJRCRFSL-UOZMSBJPSA-N

mass

  • 636.776

monoisotopicmass

  • 636.34107

smiles

  • CO[C@@H]1CC(=O)NC2=CC(=O)C=C(CC/C=C(C)/[C@H](O)[C@@H](C)[C@H](C/C=C/C=C/C=C/1)OC(=O)[C@@H](C)NC(=O)C1CCCCC1)C2=O

subset

  • 2_STAR

synonym EXACT

  • Ansatrienin A

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:29516

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