(Q27261961)

English

petasinine

chemical compound

In more languages

Statements

type of chemical entity

0 references

pyrrolizidine alkaloid

0 references

239.152±0 dalton

1 reference

language of work or name

70474-33-8 (English)

14 October 2016

chemical formula

C₁₃H₂₁NO₃

1 reference

language of work or name

70474-33-8 (English)

14 October 2016

canonical SMILES

CC=C(C)C(=O)OC1CN2CCCC2C1CO

1 reference

language of work or name

70474-33-8 (English)

14 October 2016

isomeric SMILES

C/C=C(/C)\C(=O)O[C@H]1CN2CCC[C@H]2[C@H]1CO

1 reference

language of work or name

70474-33-8 (English)

14 October 2016

Petasites fragrans

1 reference

Pyrrolizidine Alkaloide in Petasites fragrans

Petasites pyrenaicus

1 reference

Pyrrolizidine Alkaloide in Petasites fragrans

Identifiers

InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-12-7-14-6-4-5-11(14)10(12)8-15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11+,12+/m1/s1

1 reference

language of work or name

70474-33-8 (English)

14 October 2016

HQARVRYBUBTANR-JTPMTOLCSA-N

1 reference

language of work or name

70474-33-8 (English)

14 October 2016

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

petasinine (English)

14 October 2016

HQARVRYBUBTANR-JTPMTOLCSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=70474-33-8

1 reference

language of work or name

Petasinine (English)

14 October 2016

2 references

language of work or name

70474-33-8 (English)

14 October 2016

matched by identifier from

HQARVRYBUBTANR-JTPMTOLCSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-12-7-14-6-4-5-11(14)10(12)8-15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11+,12+/m1/s1

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID601128893

1 reference

matched by identifier from

HQARVRYBUBTANR-JTPMTOLCSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

HQARVRYBUBTANR-JTPMTOLCSA-N

2 references

Global Substance Registration System

language of work or name

petasinine (English)

14 October 2016

matched by identifier from

HQARVRYBUBTANR-JTPMTOLCSA-N

Sitelinks

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Wiktionary(0 entries)

Multilingual sites(0 entries)

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