(Q105255963)

English

(3aR,4S,6E,10E,11aS)-4-hydroxy-3-methylidene-2-oxo-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde

chemical compound

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instance of

type of chemical entity

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subclass of

4-hydroxy-3-methylidene-2-oxo-10-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-6-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

(3aR,4S,6E,10Z,11aR)-4-hydroxy-3-methylidene-2-oxo-10-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

440.168247096 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Urospermal A 15-glucoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₁₀

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canonical SMILES

O=CC1=CCCC(=CC2OC(=O)C(=C)C2C(O)C1)COC3OC(CO)C(O)C(O)C3O

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isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(/CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC/C=C(/C=O)C[C@H](O)[C@@H]12

0 references

found in taxon

Sonchus asper

1 reference

stated in

Sesquiterpene lactone glucosides from Sonchus asper

Identifiers

InChI

InChI=1S/C21H28O10/c1-10-16-13(24)5-11(7-22)3-2-4-12(6-14(16)30-20(10)28)9-29-21-19(27)18(26)17(25)15(8-23)31-21/h3,6-7,13-19,21,23-27H,1-2,4-5,8-9H2/b11-3+,12-6+/t13-,14-,15+,16+,17+,18-,19+,21+/m0/s1

0 references

InChIKey

SMIZUXPJPXRGOS-JMANXDJGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SMIZUXPJPXRGOS-JMANXDJGSA-N

(Q105255963)

(3aR,4S,6E,10E,11aS)-4-hydroxy-3-methylidene-2-oxo-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde

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