(Q105379906)

English

axinelline A

chemical compound

N-[(2S)-1-ethoxy-3-hydroxy-1-oxopropan-2-yl]-2,3-dihydroxybenzenecarboximidic acid

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Statements

type of chemical entity

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Ethyl 2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoate

1 reference

based on heuristic

inferred from SMILES

chemical structure

Axinelline A.svg
680 × 290; 13 KB

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269.0899372 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₂H₁₅NO₆

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canonical SMILES

CCOC(=O)C(CO)NC(=O)c1cccc(O)c1O

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isomeric SMILES

CCOC(=O)[C@H](CO)NC(=O)c1cccc(O)c1O

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Streptomyces axinellae

1 reference

Axinelline A, a new COX-2 inhibitor from Streptomyces axinellae SCSIO02208.

Identifiers

InChI=1S/C12H15NO6/c1-2-19-12(18)8(6-14)13-11(17)7-4-3-5-9(15)10(7)16/h3-5,8,14-16H,2,6H2,1H3,(H,13,17)/t8-/m0/s1

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ZNAULGVROLOSBS-QMMMGPOBSA-N

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1 reference

matched by identifier from

ZNAULGVROLOSBS-QMMMGPOBSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C12H15NO6/c1-2-19-12(18)8(6-14)13-11(17)7-4-3-5-9(15)10(7)16/h3-5,8,14-16H,2,6H2,1H3,(H,13,17)/t8-/m0/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ZNAULGVROLOSBS-QMMMGPOBSA-N

Sitelinks

Wikipedia(1 entry)

enwiki Axinelline A

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