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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 > naphthofuran > aspergilline d
... > 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 > naphthofuran > aspergilline d
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > naphthofuran > aspergilline d
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > naphthofuran > aspergilline d
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > naphthofuran > aspergilline d
... > 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 > naphthofuran > aspergilline d
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > naphthofuran > aspergilline d
organooxygen compound > oxacycle > naphthofuran > aspergilline d
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > naphthofuran > aspergilline d
... > 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 > oxacycle > naphthofuran > aspergilline d
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > naphthofuran > aspergilline d

Preferred term

aspergilline d  

Type

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

Broader concept

charge

  • 0

formula

  • C21H24N2O7

inchi

  • InChI=1S/C21H24N2O7/c1-9(24)19(27)16(26)23-17(2,3)11-8-10-6-5-7-12-13(10)18(15(25)22(12)4)14(11)20(23,28)21(19,29)30-18/h5-7,9,11,14,24,27-29H,8H2,1-4H3/t9-,11+,14+,18-,19+,20-,21+/m0/s1

inchikey

  • PQCKBAMPLOMUBD-WIOCFUBSSA-N

mass

  • 416.430

monoisotopicmass

  • 416.15835

smiles

  • O=C1N(C=2C=CC=C3C2[C@@]14O[C@]5(O)[C@](O)(C(=O)N6[C@@]5([C@@H]4[C@H](C6(C)C)C3)O)[C@@H](O)C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,2R,3S,4R,5S,9R)-3,4,5-trihydroxy-5-[(1S)-1-hydroxyethyl]-8,8,16-trimethyl-19-oxa-7,16-diazahexacyclo[9.6.1.11,4.02,9.03,7.015,18]nonadeca-11(18),12,14-triene-6,17-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202729

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