(Q104914513)

English

methyl (1S,4aS,6S,7S,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-, methyl ester

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

390.152597032 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

1 reference

methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₆O₁₀

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1CC(O)C3C

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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]2[C@@H]1C[C@H](O)[C@H]2C

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found in taxon

Sinoadina racemosa

1 reference

stated in

Six secoiridoid glucosides from Adina racemosa

Lippia dulcis

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stated in

New Bisabolane-Type Sesquiterpenes from the Aerial Parts of Lippia dulcis

Lonicera japonica

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stated in

Secoiridoid glycosides from the flower buds of Lonicera japonica

Phlomis aurea

1 reference

stated in

Iridoid and megastigmane glycosides from Phlomis aurea

Phlomis grandiflora

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stated in

Phlomisethanoside, a phenylethanoid glycoside from Phlomis grandiflora var. grandiflora

Lantana camara

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stated in

Lantana camara L. (Verbenaceae).

Identifiers

InChI

InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7-,9+,10-,11+,12-,13+,14-,16+,17+/m1/s1

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InChIKey

AMBQHHVBBHTQBF-DIQZWRSRSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104914513)

methyl (1S,4aS,6S,7S,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Statements

Identifiers

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