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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > azaphilone > isochromophilone xi
... > 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 > azaphilone > isochromophilone xi
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > azaphilone > isochromophilone xi

Preferred term

isochromophilone xi  

Type

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

Broader concept

charge

  • 0

formula

  • C25H29ClO8

inchi

  • InChI=1S/C25H29ClO8/c1-6-14(2)9-15(3)7-8-17-12-18-21(26)22(30)24(5,23(31)25(18,32)13-33-17)34-20(29)11-16(4)10-19(27)28/h7-9,11-12,14,32H,6,10,13H2,1-5H3,(H,27,28)/b8-7?,15-9+,16-11+

inchikey

  • VMNQERFVALEMDE-LPZQESTRSA-N

mass

  • 492.950

monoisotopicmass

  • 492.15510

smiles

  • ClC=1C(=O)C(OC(=O)/C=C(/CC(=O)O)/C)(C(=O)C2(C1C=C(OC2)C=C/C(=C/C(CC)C)/C)O)C

subset

  • 2_STAR

synonym EXACT

  • (E)-5-[[5-chloro-3-[(3E)-3,5-dimethylhepta-1,3-dienyl]-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl]oxy]-3-methyl-5-oxopent-3-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213214

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