(Q105380860)

English

(2S,3S,4S)-4-[2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxyethyl]-3-ethenyl-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

4-[2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]ethyl]-3-ethenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

538.16864102 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4S,5R,6S)-4-(2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethyl)-5-ethenyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4H-pyran-3-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₀O₁₃

0 references

canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CCOC(=O)C=CC3=CC=C(O)C(O)=C3

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isomeric SMILES

C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)OC=C(C(=O)O)[C@H]1CCOC(=O)/C=C/c1ccc(O)c(O)c1

0 references

found in taxon

Sinoadina racemosa

1 reference

stated in

Six secoiridoid glucosides from Adina racemosa

Anthocleista grandiflora

1 reference

stated in

Grandifloroside et methylgrandifloroside, glucosides iridoides nouveaux d'Anthocleista grandiflora

Neonauclea sessilifolia

1 reference

stated in

Two chromone-secoiridoid glycosides and three indole alkaloid glycosides from Neonauclea sessilifolia

Identifiers

InChI

InChI=1S/C25H30O13/c1-2-13-14(7-8-35-19(29)6-4-12-3-5-16(27)17(28)9-12)15(23(33)34)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h2-6,9,11,13-14,18,20-22,24-28,30-32H,1,7-8,10H2,(H,33,34)/b6-4+/t13-,14-,18+,20+,21-,22-,24-,25-/m0/s1

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InChIKey

ZPEFYJBGAZLAKK-JVPUXIIISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZPEFYJBGAZLAKK-JVPUXIIISA-N

(Q105380860)

(2S,3S,4S)-4-[2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxyethyl]-3-ethenyl-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

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