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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 > organonitrogen heterocyclic compound > benzopyrrole > isoindoles > mbj-0030
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > isoindoles > mbj-0030
... > 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 > benzopyrrole > isoindoles > mbj-0030
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > isoindoles > mbj-0030
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > isoindoles > mbj-0030
... > 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 > benzopyrrole > isoindoles > mbj-0030
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > isoindoles > mbj-0030
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > polycyclic heteroarene > benzopyrrole > isoindoles > mbj-0030
... > 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 aromatic compound > heteroarene > polycyclic heteroarene > benzopyrrole > isoindoles > mbj-0030
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > polycyclic heteroarene > benzopyrrole > isoindoles > mbj-0030
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > polycyclic heteroarene > benzopyrrole > isoindoles > mbj-0030
... > 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 > heteroarene > polycyclic heteroarene > benzopyrrole > isoindoles > mbj-0030
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > polycyclic heteroarene > benzopyrrole > isoindoles > mbj-0030

Preferred term

mbj-0030  

Type

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

Broader concept

charge

  • 0

formula

  • C25H35NO7S

inchi

  • InChI=1S/C25H35NO7S/c1-14-5-6-19-23(2,3)20(28)7-8-24(19,4)25(14)12-16-18(27)11-15-17(21(16)33-25)13-26(22(15)29)9-10-34(30,31)32/h11,14,19-20,27-28H,5-10,12-13H2,1-4H3,(H,30,31,32)/t14-,19+,20-,24+,25-/m1/s1

inchikey

  • KURJUPXXEUTVSJ-TUJJLKMMSA-N

mass

  • 493.620

monoisotopicmass

  • 493.21342

smiles

  • S(=O)(=O)(O)CCN1C(=O)C=2C=C(O)C3=C(C2C1)O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)C3

subset

  • 2_STAR

synonym EXACT

  • 2-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]ethanesulonic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217626

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