(Q110171405)

English

Antibiotic AA-57

chemical compound

In more languages

Statements

type of chemical entity

0 references

4-(Chloromethyl)-4-hydroxy-6,7-dimethyl-3-oxo-1,3,4,7,7a,9a-hexahydropentaleno[1,6a-c]pyran-9-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

Pentaleno(1,6a-c)pyran-5-carboxylic acid, 1-(chloromethyl)-1,2,4,4a,6a,7-hexahydro-1-hydroxy-7,8-dimethyl-2-oxo-, (1S-(1alpha,4aalpha,6abeta,7alpha,9aR*))-

1 reference

based on heuristic

inferred from SMILES

(1S,4aR,6aR)-1-(chloromethyl)-1-hydroxy-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

312.076451324 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,4aS,6aS,7R,9aS)-1-(chloromethyl)-1-hydroxy-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₅H₁₇ClO₅

0 references

canonical SMILES

O=C(O)C1=CC2C(C(=CC23C1COC(=O)C3(O)CCl)C)C

0 references

isomeric SMILES

CC1=C[C@@]23[C@H](C=C(C(=O)O)[C@@H]2COC(=O)[C@]3(O)CCl)[C@@H]1C

0 references

1 reference

AA-57, a new antibiotic related to pentalenolactone

Identifiers

InChI=1S/C15H17ClO5/c1-7-4-14-10(8(7)2)3-9(12(17)18)11(14)5-21-13(19)15(14,20)6-16/h3-4,8,10-11,20H,5-6H2,1-2H3,(H,17,18)/t8-,10-,11+,14-,15-/m1/s1

0 references

JIBVJJZCSYJNBC-UJJBCWTCSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C15H17ClO5/c1-7-4-14-10(8(7)2)3-9(12(17)18)11(14)5-21-13(19)15(14,20)6-16/h3-4,8,10-11,20H,5-6H2,1-2H3,(H,17,18)/t8-,10-,11+,14-,15-/m1/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JIBVJJZCSYJNBC-UJJBCWTCSA-N

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q110171405&oldid=2155775702"