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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > dibenzooxazepine > doxepin n-oxide glucuronide
... > 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 polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > dibenzooxazepine > doxepin n-oxide glucuronide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > dibenzooxazepine > doxepin n-oxide glucuronide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > dibenzooxazepine > doxepin n-oxide glucuronide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > dibenzooxazepine > doxepin n-oxide glucuronide
... > 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 heteropolycyclic compound > organic heterotricyclic compound > dibenzooxazepine > doxepin n-oxide glucuronide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > dibenzooxazepine > doxepin n-oxide glucuronide

Preferred term

doxepin n-oxide glucuronide  

Type

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

Broader concept

charge

  • +1

formula

  • C25H30NO8

inchi

  • InChI=1S/C25H29NO8/c1-26(2,34-25-22(29)20(27)21(28)23(33-25)24(30)31)13-7-11-17-16-9-4-3-8-15(16)14-32-19-12-6-5-10-18(17)19/h3-6,8-12,20-23,25,27-29H,7,13-14H2,1-2H3/p+1/b17-11+/t20-,21-,22+,23-,25-/m0/s1

inchikey

  • NLZMYODDTAMNJM-GOSZAKIASA-O

mass

  • 472.513

monoisotopicmass

  • 472.19659

smiles

  • O([N+](CC/C=C/1/C=2C(COC=3C1=CC=CC3)=CC=CC2)(C)C)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • [(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-dimethylazanium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:175698

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