(Q72480868)

English

Griselinoside

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Dichloromethoxyaceticacidmethylester

1 reference

based on heuristic

inferred from SMILES

4,7-dimethyl 5-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,6H,7H,7aH-cyclopenta[c]pyran-4,7-dicarboxylate

1 reference

based on heuristic

inferred from SMILES

mass

432.126776208 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

dimethyl (1S,4aS,7S,7aS)-5-oxo-1-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4,7-dicarboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

dimethyl (1S,4aS,7S,7aS)-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4,7-dicarboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₄O₁₂

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(=O)CC3C(=O)OC

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isomeric SMILES

COC(=O)[C@@H]1CC(=O)[C@@H]2[C@H]1[C@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

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found in taxon

Griselinia littoralis

2 references

stated in

Iridoid glucosides in Griselinia, Aralidium and Toricellia

stated in

Biosynthesis of the iridoid glucosides cornin, hastatoside, and griselinoside in Verbena species

Verbena brasiliensis

1 reference

stated in

New iridoid glucosides from the aerial parts of Verbena brasiliensis

Verbena hispida

1 reference

stated in

Biosynthesis of the iridoid glucosides cornin, hastatoside, and griselinoside in Verbena species

Identifiers

InChI

InChI=1S/C18H24O12/c1-26-15(24)6-3-8(20)10-7(16(25)27-2)5-28-17(11(6)10)30-18-14(23)13(22)12(21)9(4-19)29-18/h5-6,9-14,17-19,21-23H,3-4H2,1-2H3/t6-,9-,10-,11+,12-,13+,14-,17-,18+/m1/s1

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InChIKey

USONHTFDCJKLKO-PHAJAEPKSA-N

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1 reference

matched by identifier from

InChIKey

USONHTFDCJKLKO-PHAJAEPKSA-N

1 reference

1 reference

matched by identifier from

InChIKey

USONHTFDCJKLKO-PHAJAEPKSA-N

DSSTOX compound identifier

DTXCID701418423

0 references

(Q72480868)

Griselinoside

Statements

Identifiers

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