(Q75055035)

English

6-(3'-methylbuten-2'-yl) isatin

6-(3'-methylbuten-2-yl)isatin is an indoledione. It has a role as a bacterial metabolite. It derives from an isatin.

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instance of

type of chemical entity

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subclass of

indole alkaloid

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mass

215.094628656 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₃H₁₃NO₂

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canonical SMILES

O=C1NC2=CC(=CC=C2C1=O)CC=C(C)C

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found in taxon

Streptomyces albus

1 reference

stated in

Isolation and structure elucidation of 6-(3'-methylbuten-2'-yl)isatin, an unusual metabolite from Streptomyces albus

Identifiers

InChI

InChI=1S/C13H13NO2/c1-8(2)3-4-9-5-6-10-11(7-9)14-13(16)12(10)15/h3,5-7H,4H2,1-2H3,(H,14,15,16)

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InChIKey

MWJAKDCTOHITQV-UHFFFAOYSA-N

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2 references

language of work or name

English

matched by identifier from

InChIKey

MWJAKDCTOHITQV-UHFFFAOYSA-N

ChEBI ID

141376

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C13H13NO2/c1-8(2)3-4-9-5-6-10-11(7-9)14-13(16)12(10)15/h3,5-7H,4H2,1-2H3,(H,14,15,16)

1 reference

1 reference

matched by identifier from

InChIKey

MWJAKDCTOHITQV-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID4066175

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Natural Product Atlas ID

NPA000244

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MWJAKDCTOHITQV-UHFFFAOYSA-N

(Q75055035)

6-(3'-methylbuten-2'-yl) isatin

Statements

Identifiers

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