(Q72485416)

English

Isoliquiritin apioside

chemical compound

Neolicuroside
(2E)-3-[4-[(2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]phenyl]-1-(2,4-dihydroxyphenyl)-2-propen-1-one

In more languages

Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from SMILES

550.1686410199999 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(Z)-3-[4-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one

1 reference

based on heuristic

inferred from InChI

(E)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one

1 reference

based on heuristic

inferred from InChI

(2E)-3-(4-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₀O₁₃

0 references

canonical SMILES

O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)cc1)c1ccc(O)cc1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

O=C(/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)cc1)c1ccc(O)cc1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+/t19-,20-,21+,22-,23+,24-,25+,26-/m1/s1

0 references

VMMVZVPAYFZNBM-KVFWHIKKSA-N

1 reference

based on heuristic

inferred from InChI

CAS Registry Number

0 references

1 reference

matched by identifier from

VMMVZVPAYFZNBM-KVFWHIKKSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+/t19-,20-,21+,22-,23+,24-,25+,26-/m1/s1

DSSTox substance ID

DTXSID501314302

1 reference

matched by identifier from

VMMVZVPAYFZNBM-KVFWHIKKSA-N

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