(Q104393201)

English

methyl (1S,4aS,5S,7aS)-7-[(acetyloxy)methyl]-5-hydroxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 7-(acetyloxymethyl)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

446.142426272 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S)-1alpha-(beta-D-Glucopyranosyloxy)-5alpha-hydroxy-7-(acetoxymethyl)-1,4aalpha,5,7aalpha-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₆O₁₂

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CC(O)C13)COC(=O)C

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isomeric SMILES

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12

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found in taxon

Galium album

3 references

stated in

THE ELUTION PATTERN OF IRIDOID GLUCOSIDES FROM GALIUM SPECIES ON C-18 REVERSED-PHASE HIGH-PERFORMANCE LIQUID CHROMATOGRAPHY

stated in

Iridoid glucosides from Galium album and G. lovcense

stated in

Iridoid glucosides from Galium album and G. lovcense

Galium macedonicum

2 references

stated in

THE ELUTION PATTERN OF IRIDOID GLUCOSIDES FROM GALIUM SPECIES ON C-18 REVERSED-PHASE HIGH-PERFORMANCE LIQUID CHROMATOGRAPHY

stated in

Indoid Glucosides from Four Balkan Endemics of the Galium incurvum Group (Rubiaceae)

Escallonia myrtoidea

1 reference

stated in

Iridoid glycosides from Escallonia species

Spermacoce latifolia

2 references

stated in

Studies on the Constituents of Indonesian Borreria latifolia

stated in

Studies on the Constituents of Indonesian Borreria latifolia

Crucianella graeca

1 reference

stated in

Coumarins and Iridoids from Crucianella graeca, Cruciata glabra, Cruciata laevipes and Cruciata pedemontana (Rubiaceae)

Cruciata laevipes

1 reference

stated in

Coumarins and Iridoids from Crucianella graeca, Cruciata glabra, Cruciata laevipes and Cruciata pedemontana (Rubiaceae)

Cruciata pedemontana

1 reference

stated in

Coumarins and Iridoids from Crucianella graeca, Cruciata glabra, Cruciata laevipes and Cruciata pedemontana (Rubiaceae)

Galium aegeum

1 reference

stated in

Indoid Glucosides from Four Balkan Endemics of the Galium incurvum Group (Rubiaceae)

Galium humifusum

1 reference

stated in

Iridoid Glucosides from Galium humifusum Bieb

Galium lovcense

2 references

stated in

Iridoid glucosides from Galium album and G. lovcense

stated in

Iridoid glucosides from Galium album and G. lovcense

Galium mirum

1 reference

stated in

Indoid Glucosides from Four Balkan Endemics of the Galium incurvum Group (Rubiaceae)

Paederia scandens

2 references

stated in

Two new acylated iridoid glucosides from the aerial parts of Paederia scandens.

stated in

Two new acylated iridoid glucosides from the aerial parts of Paederia scandens.

Daphniphyllum angustifolium

1 reference

stated in

Study on the Chemical Constituents ofDaphniphyllum angustifolium

Daphniphyllum himalayense

1 reference

stated in

Study on the Chemical Constituents ofDaphniphyllum angustifolium

Daphniphyllum macropodum

1 reference

stated in

Studies on the Monoterpene Glucosides. IV. : Monoterpene Glucosides of Daphniphyllum macropodum MIQ

Globularia bisnagarica

1 reference

stated in

ChemInform Abstract: Flavonoid, Phenylethanoid and Iridoid Glycosides from Globularia aphyllanthes

Oldenlandia herbacea var. herbacea

2 references

stated in

Biologically Active Iridoids from Hedyotis diffusa

stated in

A new acylated flavonol glycoside and antioxidant effects of Hedyotis diffusa

Oldenlandia hedyotidea

1 reference

stated in

New Anthraquinone and Iridoid Glycosides from the Stems of Hedyotis hedyotidea

henbit deadnettle

1 reference

stated in

Three New Monoterpene Glucosides fromLamium amplexicaule

Daphniphyllum himalense

1 reference

stated in

Study on the Chemical Constituents ofDaphniphyllum angustifolium

Galium mollugo

3 references

stated in

Iridoid glucosides from Galium album and G. lovcense

stated in

THE ELUTION PATTERN OF IRIDOID GLUCOSIDES FROM GALIUM SPECIES ON C-18 REVERSED-PHASE HIGH-PERFORMANCE LIQUID CHROMATOGRAPHY

stated in

Iridoids from Galium mollugo

Galium rhodopeum

1 reference

stated in

Iridoid glucosides from Galium album and G. lovcense

Paederia foetida

1 reference

stated in

Two new acylated iridoid glucosides from the aerial parts of Paederia scandens.

Spermacoce verticillata

1 reference

stated in

Iridoids fromBorreria verticillata

Catunaregam spinosa

1 reference

stated in

Iridoid glucosides from Randia spinosa (Rubiaceae)

Spermacoce alata

1 reference

stated in

Studies on the Constituents of Indonesian Borreria latifolia

Identifiers

InChI

InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1

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InChIKey

YSOBQIMODQOGKQ-HOZAMIDDSA-N

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1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

182720

mapping relation type

exact match

1 reference

stated in

ChEBI release 2022-06-13

1 reference

0 references

(Q104393201)

methyl (1S,4aS,5S,7aS)-7-[(acetyloxy)methyl]-5-hydroxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate

Statements

Identifiers

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