(Q105340050)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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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-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

360.142032348 dalton

1 reference

1 reference

inferred from InChIKey

(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-carbaldehyde

1 reference

1 reference

C₁₆H₂₄O₉

0 references

canonical SMILES

O=CC1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1CCC3(O)C

0 references

isomeric SMILES

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

0 references

found in taxon

Gardenia jasminoides

1 reference

stated in

Studies on the constituents of Gardenia species. III. New iridoid glycosides from the leaves of Gardenia jasminoides cv. fortuneana Hara

Ixora chinensis

1 reference

stated in

Two new iridoid glucosides from Ixora chinensis

Plantago major

1 reference

stated in

Chemotaxonomy of Plantago. Iridoid glucosides and caffeoyl phenylethanoid glycosides.

Identifiers

InChI

InChI=1S/C16H24O9/c1-16(22)3-2-8-7(4-17)6-23-14(10(8)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6,8-15,18-22H,2-3,5H2,1H3/t8-,9-,10-,11-,12+,13+,14+,15+,16+/m1/s1

0 references

InChIKey

XQUFDDXBHJINGZ-ZAALRAECSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XQUFDDXBHJINGZ-ZAALRAECSA-N

(Q105340050)

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

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