(Q105292249)

English

(3S,4S,4aS)-4-ethenyl-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one

chemical compound

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instance of

type of chemical entity

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subclass of

(3S,4R,4aS)-4-ethenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one

1 reference

based on heuristic

inferred from SMILES

4-ethenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one

1 reference

based on heuristic

inferred from SMILES

mass

358.126382284 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,4S,4aR)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one

2 references

based on heuristic

inferred from InChIKey

1 reference

(3R,4R,4aS)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one

1 reference

based on heuristic

inferred from InChI

(3S,4S,4aS)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₂O₉

0 references

canonical SMILES

O=C1OCCC2C1=COC(OC3OC(CO)C(O)C(O)C3O)C2C=C

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isomeric SMILES

C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)OC=C2C(=O)OCC[C@H]21

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found in taxon

Sinoadina racemosa

1 reference

stated in

Six secoiridoid glucosides from Adina racemosa

Alangium lamarckii

1 reference

stated in

Tetrahydroisoquinoline-monoterpene and iridoid glycosides from Alangium lamarckii

Anthocleista grandiflora

1 reference

stated in

Isolement de derives seco-iridoides d'Anthocleista zambesiaca

Anthocleista vogelii

1 reference

stated in

Vogeloside and secologanic acid, secoiridoid glucosides from Anthocleista vogelii (author's transl)

Carapichea ipecacuanha

1 reference

stated in

Tetrahydroisoquinoline-monoterpene glycosides from Cephaelis acuminata

Chione venosa

1 reference

stated in

Phenolic and terpenoid compounds from Chione venosa (sw.) urban var. venosa (Bois Bandé).

Gentiana loureirii

1 reference

stated in

Iridoids from Gentiana loureirii.

Hydrangea chinensis

1 reference

stated in

Secoiridoid glycoside and alkaloid constituents of Hydrangea chinensis.

Lonicera japonica

1 reference

stated in

Secoiridoid glycosides from the flower buds of Lonicera japonica

Lonicera quinquelocularis

1 reference

stated in

Iridoid glycosides from Lonicera quinquelocularis

Neonauclea sessilifolia

1 reference

stated in

Two chromone-secoiridoid glycosides and three indole alkaloid glycosides from Neonauclea sessilifolia

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 spinosa

1 reference

stated in

Secoiridoid glucosides from Strychnos spinosa

Swertia franchetiana

1 reference

stated in

Two new iridoid glycosides from the Tibetan folk medicine Swertia franchetiana.

Swertia japonica

2 references

stated in

Struktur des swerosids, eines neuen glucosides aus swertia japonica makino

stated in

Zwei stark bittere glucoside aus swertia japonica makino: Amarogentin und amaroswerin

Alangium salviifolium

1 reference

stated in

Tetrahydroisoquinoline-monoterpene and iridoid glycosides from Alangium lamarckii

Scabiosa japonica

1 reference

stated in

Studies on the Constituents of Scabiosa japonica MIQ

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

Mitragyna inermis

1 reference

stated in

A new 9-methoxyyohimbine-type indole alkaloid from Mitragyna africanus

Gentiana verna

1 reference

stated in

Secologanin and Derivatives from Gentiana verna

Identifiers

InChI

InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8-,10+,11+,12-,13-,15-,16-/m0/s1

0 references

InChIKey

VSJGJMKGNMDJCI-LBSCNUBJSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105292249)

(3S,4S,4aS)-4-ethenyl-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one

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