(Q105150359)

English

N-(2-Oxo-7,8-dimethoxy-2H-1-benzopyran-3-yl)-2-amino-3aalpha,4beta,5alpha-trihydroxy-2,3,3a,4,5,7aalpha-hexahydrobenzo[b]thiophene-2alpha-carboxamide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-amino-N-(7,8-dimethoxy-2-oxochromen-3-yl)-3a,4,5-trihydroxy-3,4,5,7a-tetrahydro-1-benzothiophene-2-carboximidic acid

1 reference

based on heuristic

inferred from SMILES

mass

450.109686664 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂N₂O₈S

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canonical SMILES

COc1ccc2cc(NC(=O)C3(N)CC4(O)C(C=CC(O)C4O)S3)c(=O)oc2c1OC

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isomeric SMILES

COc1ccc2cc(NC(=O)[C@]3(N)C[C@]4(O)[C@@H](C=C[C@@H](O)[C@@H]4O)S3)c(=O)oc2c1OC

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found in taxon

Aspergillus unilateralis

1 reference

stated in

Aspergillazines A—E: Novel Heterocyclic Dipeptides from an Australian Strain of Aspergillus unilateralis.

Identifiers

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

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InChIKey

LDSUQPVEEKUWMR-JKRAONCPSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

LDSUQPVEEKUWMR-JKRAONCPSA-N

1 reference

(Q105150359)

N-(2-Oxo-7,8-dimethoxy-2H-1-benzopyran-3-yl)-2-amino-3aalpha,4beta,5alpha-trihydroxy-2,3,3a,4,5,7aalpha-hexahydrobenzo[b]thiophene-2alpha-carboxamide

Statements

Identifiers

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