(Q72490085)

English

5-Methoxyindole-2-carboxylic acid

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Statements

instance of

type of chemical entity

0 references

subclass of

indole alkaloid

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mass

191.058243148 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₀H₉NO₃

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canonical SMILES

COC1=CC2=C(C=C1)NC(=C2)C(=O)O

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found in taxon

tomato

1 reference

stated in

A metabolomics approach to unravel the regulating role of phytohormones towards carotenoid metabolism in tomato fruit

Identifiers

InChI

InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)

0 references

InChIKey

YEBJVSLNUMZXRJ-UHFFFAOYSA-N

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CAS Registry Number

4382-54-1

1 reference

InChIKey

YEBJVSLNUMZXRJ-UHFFFAOYSA-N

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=4382-54-1

PubChem CID

20401

1 reference

matched by identifier from

InChIKey

YEBJVSLNUMZXRJ-UHFFFAOYSA-N

ChEBI ID

133222

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)

SureChEMBL ID

SCHEMBL335235

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YEBJVSLNUMZXRJ-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

YEBJVSLNUMZXRJ-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

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224-487-6

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ECHA Substance Infocard ID

100.022.262

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.022.262

retrieved

29 December 2019

title

5-methoxyindole-2-carboxylic acid (English)

quotation

CAS no.: 4382-54-1 (English)

Human Metabolome Database ID

HMDB0246823

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YEBJVSLNUMZXRJ-UHFFFAOYSA-N

UNII

AFK8L54HA2

1 reference

matched by identifier from

InChIKey

YEBJVSLNUMZXRJ-UHFFFAOYSA-N

(Q72490085)

5-Methoxyindole-2-carboxylic acid

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