(Q105132019)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

376.136946968 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,4aR,6R,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-carboxylic acid

1 reference

1 reference

(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-carboxylic acid

1 reference

based on heuristic

inferred from InChI

(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-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₄O₁₀

0 references

canonical SMILES

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

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isomeric SMILES

C[C@H]1[C@@H](O)C[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]21

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found in taxon

Alangium lamarckii

1 reference

stated in

Tetrahydroisoquinoline-monoterpene and iridoid glycosides from Alangium lamarckii

Gentiana loureirii

1 reference

stated in

Iridoids from Gentiana loureirii.

Lippia graveolens

1 reference

stated in

Iridoids from Lippia graveolens

Lippia origanoides

1 reference

stated in

Iridoids from Lippia graveolens

Ophiorrhiza liukiuensis

1 reference

stated in

Camptothecins and two new monoterpene glucosides from Ophiorrhiza liukiuensis

Strychnos axillaris

1 reference

stated in

Phenolic and iridoid glycosides from Strychnos axillaris

Strychnos lucida

1 reference

stated in

A quinic acid ester from Strychnos lucida

Strychnos nux-vomica

1 reference

stated in

Iridoid glucosides from Strychnos nux-vomica

Alangium salviifolium

1 reference

stated in

Tetrahydroisoquinoline-monoterpene and iridoid glycosides from Alangium lamarckii

Centaurium erythraea

1 reference

stated in

Organ-specific and genotype-dependent constitutive biosynthesis of secoiridoid glucosides in Centaurium erythraea Rafn, and its elicitation with methyl jasmonate

Ophiorrhiza kuroiwae

1 reference

stated in

Camptothecins and two new monoterpene glucosides from Ophiorrhiza liukiuensis

Identifiers

InChI

InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10-,11+,12-,13-,15-,16-/m0/s1

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InChIKey

JNNGEAWILNVFFD-DVXGVPIISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JNNGEAWILNVFFD-DVXGVPIISA-N

1 reference

(Q105132019)

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

Statements

Identifiers

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