(Q104987084)

English

(4R)-4-[(E,3R)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4-[3-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

502.241412036 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(R)-4alpha-[(R)-3-[[6-O-(D-Apio-beta-D-furanosyl)-beta-D-glucopyranosyl]oxy]-1-butenyl]-3,5,5-trimethylcyclohexa-2-en-1-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₈O₁₁

0 references

canonical SMILES

O=C1C=C(C)C(C=CC(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C)C(C)(C)C1

0 references

isomeric SMILES

CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Cydonia oblonga

1 reference

stated in

Constituents ofCydonia vulgaris: Isolation and Structure Elucidation of Four New Flavonol Glycosides and Nine New α-Ionol-Derived Glycosides

Cydonia vulgaris

1 reference

stated in

Constituents ofCydonia vulgaris: Isolation and Structure Elucidation of Four New Flavonol Glycosides and Nine New α-Ionol-Derived Glycosides

Identifiers

InChI

InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1

0 references

InChIKey

DQQUPMXQGJRNAW-HYPVQEEESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DQQUPMXQGJRNAW-HYPVQEEESA-N

(Q104987084)

(4R)-4-[(E,3R)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one

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