(Q105212043)

English

(4S,5E,6S)-4-(carboxymethyl)-5-ethylidene-6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

secoiridoid monoterpenoid

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mass

390.116211524 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₂O₁₁

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canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CC)C1CC(=O)O

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isomeric SMILES

C/C=C1/[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]1CC(=O)O

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found in taxon

Olea capensis

1 reference

stated in

Chemotaxonomy of the Oleaceae: iridoids as taxonomic markers.

Olea tsoongii

1 reference

stated in

Chemotaxonomy of the Oleaceae: iridoids as taxonomic markers.

Olea verrucosa

1 reference

stated in

Chemotaxonomy of the Oleaceae: iridoids as taxonomic markers.

Olea europaea

1 reference

stated in

Secoiridoids from Olea europaea

Identifiers

InChI

InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5,7,9,11-13,15-17,20-22H,3-4H2,1H3,(H,18,19)(H,23,24)/b6-2+/t7-,9-,11+,12+,13-,15-,16-/m0/s1

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InChIKey

PNMNSRMFRJNZFD-RRTNEHNISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PNMNSRMFRJNZFD-RRTNEHNISA-N

(Q105212043)

(4S,5E,6S)-4-(carboxymethyl)-5-ethylidene-6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid

Statements

Identifiers

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