(Q105292022)

English

[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

449.204966952 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

thesinine-4'-O-β-D-glucoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₁NO₈

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canonical SMILES

O=C(OCC1CCN2CCCC21)C=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3

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isomeric SMILES

O=C(/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)OC[C@@H]1CCN2CCC[C@@H]12

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found in taxon

borage

1 reference

stated in

Thesinine-4'-O-beta-D-glucoside the first glycosylated plant pyrrolizidine alkaloid from Borago officinalis

Identifiers

InChI

InChI=1S/C23H31NO8/c25-12-18-20(27)21(28)22(29)23(32-18)31-16-6-3-14(4-7-16)5-8-19(26)30-13-15-9-11-24-10-1-2-17(15)24/h3-8,15,17-18,20-23,25,27-29H,1-2,9-13H2/b8-5+/t15-,17-,18+,20+,21-,22+,23+/m0/s1

0 references

InChIKey

VRWXOVDCMDXQDO-XSWPKGSUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VRWXOVDCMDXQDO-XSWPKGSUSA-N

(Q105292022)

[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate

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