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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > amino-acid ester > alpha-amino acid ester > isarubrolone e
... > organooxygen compound > carbonyl compound > carboxylic ester > amino-acid ester > alpha-amino acid ester > isarubrolone e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > amino-acid ester > alpha-amino acid ester > isarubrolone e

Preferred term

isarubrolone e  

Type

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

Broader concept

charge

  • +1

formula

  • C26H26NO10

inchi

  • InChI=1S/C26H25NO10/c1-5-14-19-17-11(6-9(2)27(19)8-15(29)36-14)16-12(20(17)30)7-13(28)18-23(21(16)31)37-25-26(18,33)24(32)22(34-4)10(3)35-25/h6-7,10,14,22,24-25,32-33H,5,8H2,1-4H3/p+1/t10-,14-,22-,24-,25+,26-/m1/s1

inchikey

  • DKFVPRCUDYCOTC-OMESWHERSA-O

mass

  • 512.490

monoisotopicmass

  • 512.15512

smiles

  • O=C1C2=C(O[C@H]3[C@]2(O)[C@H](O)[C@H](OC)[C@@H](C)O3)C(O)=C4C(=C1)C(=O)C=5C6=[N+](CC(=O)O[C@@H]6CC)C(=CC45)C

subset

  • 2_STAR

synonym EXACT

  • (5S,7R,8S,9R,10R,18R)-18-ethyl-2,9,10-trihydroxy-8-methoxy-7,23-dimethyl-4,6,19-trioxa-22-azoniahexacyclo[12.11.0.03,11.05,10.016,25.017,22]pentacosa-1,3(11),13,16(25),17(22),23-hexaene-12,15,20-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223878

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