(Q27105738)

Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester (English)

5 October 2016

chemical formula

C₁₅H₂₅NO₄

1 reference

Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester (English)

5 October 2016

canonical SMILES

CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1CCC2)O

1 reference

Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester (English)

5 October 2016

isomeric SMILES

C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1CCC2)O)O

1 reference

Pyrrolizidine alkaloids of Liatris punctata and its root parasite, Castilleja integra

Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester (English)

5 October 2016

1 reference

Cryptantha clevelandii

1 reference

Cryptantha virginensis

1 reference

Crinum kirkii

1 reference

Augustamine type alkaloids from Crinum kirkii

Cynoglossum amabile

1 reference

The alkaloids of Cynoglossum australe R.Br. and C. amabile Stapf & Drummond

Amsinckia douglasiana

1 reference

Pyrrolizidine alkaloid chemosystematics in Amsinckia

Amsinckia eastwoodae

1 reference

Pyrrolizidine alkaloid chemosystematics in Amsinckia

Amsinckia grandiflora

1 reference

Pyrrolizidine alkaloid chemosystematics in Amsinckia

Amsinckia lycopsioides

1 reference

Pyrrolizidine alkaloid chemosystematics in Amsinckia

Amsinckia retrorsa

1 reference

Pyrrolizidine alkaloid chemosystematics in Amsinckia

borage

1 reference

Pyrrolizidine Alkaloids from Borage (Borago officinalis) Seeds and Flowers

Cynoglossum officinale

1 reference

Pyrrolizidine alkaloids of Cynoglossum officinale and Cynoglossum amabile (family boraginaceae)

Eupatorium cannabinum

1 reference

Pyrrolizidine alkaloid composition of three Chinese medicinal herbs, Eupatorium cannabinum, E. japonicum and Crotalaria assamica

Eupatorium japonicum

1 reference

Pyrrolizidine alkaloid composition of three Chinese medicinal herbs, Eupatorium cannabinum, E. japonicum and Crotalaria assamica

Neatostema apulum

1 reference

Pyrrolizidine alkaloids from Neatostema apulum

Critonia portoricensis

1 reference

Pyrrolizidine alkaloids from Eupatorium portoricense

Amsinckia menziesii

1 reference

Pyrrolizidine alkaloid chemosystematics in Amsinckia

Oreocarya virginiensis

1 reference

Oreocarya insolita

1 reference

InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13-,15-/m0/s1

natural product of taxon

Cynoglossum amabile

0 references

borage

0 references

Identifiers

InChI

1 reference

Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester (English)

DRVWTOSBCBKXOR-WHOFXGATSA-N

5 October 2016

InChIKey

2 references

Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester (English)

5 October 2016

ChEBI release 2020-09-01

2 references

DRVWTOSBCBKXOR-WHOFXGATSA-N

amabiline (English)

5 October 2016

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=17958-43-9

1 reference

(+)-Amabiline (English)

5 October 2016

1 reference

Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester (English)

5 October 2016

Reaxys registry number

89296

1 reference

amabiline (English)

5 October 2016

mapping relation type

1 reference

DSSTOX compound identifier

amabiline (English)

5 October 2016

1 reference

0 references

DTXCID101367747

0 references

Human Metabolome Database ID

HMDB0302358

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DRVWTOSBCBKXOR-WHOFXGATSA-N

1 reference

amabiline (English)

5 October 2016

1 reference

amabiline (English)