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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 aromatic compound > phenylpropanoid > coumarins > aspergillazine c
... > 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 > phenylpropanoid > coumarins > aspergillazine c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > coumarins > aspergillazine c
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > aspergillazine c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > aspergillazine c
... > 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 > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > aspergillazine c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > aspergillazine c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > aspergillazine c
... > 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 > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > aspergillazine c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > aspergillazine c

Preferred term

aspergillazine c  

Type

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

Broader concept

charge

  • 0

formula

  • C20H22N2O8S

inchi

  • InChI=1S/C20H22N2O8S/c1-28-12-5-3-9-7-10(17(25)30-14(9)15(12)29-2)22-18(26)20(21)8-19(27)13(31-20)6-4-11(23)16(19)24/h3-7,11,13,16,23-24,27H,8,21H2,1-2H3,(H,22,26)/t11-,13-,16+,19+,20?/m1/s1

inchikey

  • LDSUQPVEEKUWMR-SEQHAUAXSA-N

mass

  • 450.460

monoisotopicmass

  • 450.10969

smiles

  • S1C(N)(C(=O)NC=2C(=O)OC=3C(OC)=C(OC)C=CC3C2)C[C@@]4([C@H]1C=C[C@@H](O)[C@@H]4O)O

subset

  • 2_STAR

synonym EXACT

  • (3aR,4S,5R,7aR)-2-amino-N-(7,8-dimethoxy-2-oxochromen-3-yl)-3a,4,5-trihydroxy-3,4,5,7a-tetrahydro-1-benzothiophene-2-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203459

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