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Chemistry, part 2

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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 > alkaloid > quinazoline alkaloid > anhydrotetrodotoxin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > quinazolines > quinazoline alkaloid > anhydrotetrodotoxin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinazolines > quinazoline alkaloid > anhydrotetrodotoxin
... > 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 > quinazolines > quinazoline alkaloid > anhydrotetrodotoxin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinazolines > quinazoline alkaloid > anhydrotetrodotoxin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > quinazolines > quinazoline alkaloid > anhydrotetrodotoxin
... > 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 heterobicyclic compound > quinazolines > quinazoline alkaloid > anhydrotetrodotoxin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > quinazolines > quinazoline alkaloid > anhydrotetrodotoxin

Preferred term

anhydrotetrodotoxin  

Type

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

Broader concept

charge

  • 0

formula

  • C11H15N3O7

has_functional_parent

inchi

  • InChI=1S/C11H15N3O7/c12-8-13-6-2-4-9(17,1-15)5-3(16)10(2,14-8)7(19-6)11(18,20-4)21-5/h2-7,15-18H,1H2,(H3,12,13,14)/t2?,3-,4?,5+,6?,7+,9+,10-,11+/m1/s1

inchikey

  • STNXQECXKDMLJK-NLWUVLGBSA-N

mass

  • 301.255

monoisotopicmass

  • 301.09100

smiles

  • O1[C@]2(OC3C4[C@]5([C@@H]2OC4N=C(N5)N)[C@@H]([C@H]1[C@]3(O)CO)O)O

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4S,5R,11S,12S)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.13,12.05,11.05,14]pentadec-7-ene-2,4,12-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221694

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