(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid (Q105288269)

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chemical compound

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Language	Label	Description	Also known as
English	(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

7-Hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

376.136946968 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Mussaenosidic acid

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₄O₁₀

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canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1CCC3(O)C

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isomeric SMILES

C[C@]1(O)CC[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

Cistanche tubulosa

1 reference

stated in

Monoterpene constituents from Cistanche tubulosa--chemical structures of kankanosides A-E and kankanol-

Gardenia jasminoides

1 reference

stated in

Immunosuppressive iridoids from the fruits of Gardenia jasminoides

Plantago alpina

1 reference

stated in

Chemotaxonomy of Plantago. Iridoid glucosides and caffeoyl phenylethanoid glycosides.

Plantago arborescens

1 reference

stated in

Chemotaxonomy of Plantago. Iridoid glucosides and caffeoyl phenylethanoid glycosides.

Plantago nivalis

1 reference

stated in

Chemotaxonomy of Plantago. Iridoid glucosides and caffeoyl phenylethanoid glycosides.

Plantago sempervirens

1 reference

stated in

Chemotaxonomy of Plantago. Iridoid glucosides and caffeoyl phenylethanoid glycosides.

Plantago webbii

1 reference

stated in

Chemotaxonomy of Plantago. Iridoid glucosides and caffeoyl phenylethanoid glycosides.

Vitex agnus-castus

1 reference

stated in

Glucosides from Vitex agnus-castus.

Adina trichotoma

1 reference

stated in

Glycosides from the bark of Adina polycephala

Cistanche phelypaea

1 reference

stated in

Monoterpene constituents from Cistanche tubulosa--chemical structures of kankanosides A-E and kankanol-

Identifiers

InChI

InChI=1S/C16H24O10/c1-16(23)3-2-6-7(13(21)22)5-24-14(9(6)16)26-15-12(20)11(19)10(18)8(4-17)25-15/h5-6,8-12,14-15,17-20,23H,2-4H2,1H3,(H,21,22)/t6-,8-,9-,10-,11-,12+,14+,15-,16+/m1/s1

0 references

InChIKey

VLCHQFXSBHIBRV-KNNWKXJLSA-N

0 references

PubChem CID

154497057

2 references

stated in

PubChem

retrieved

26 December 2021

inferred from

InChIKey

matched by identifier from

InChIKey

InChIKey

VLCHQFXSBHIBRV-KNNWKXJLSA-N

UniChem compound ID

185783936

1 reference

stated in

UniChem

 

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