(Q105309077)

English

1-[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-6-methoxy-3-methylphenyl]ethanone

chemical compound

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instance of

type of chemical entity

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subclass of

1-[4-[6-[[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-6-methoxy-3-methylphenyl]ethanone

1 reference

based on heuristic

inferred from SMILES

mass

490.16864102 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₁₃

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canonical SMILES

O=C(C=1C(O)=C(C(OC2OC(COC3OC(CO)C(O)C3O)C(O)C(O)C2O)=CC1OC)C)C

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isomeric SMILES

COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(C)c(O)c1C(C)=O

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found in taxon

Euphorbia ebracteolata

1 reference

stated in

Acetophenone derivatives and sesquiterpene from Euphorbia ebracteolata

Identifiers

InChI

InChI=1S/C21H30O13/c1-7-9(4-10(30-3)13(8(2)23)14(7)24)32-21-19(29)17(27)16(26)12(34-21)6-31-20-18(28)15(25)11(5-22)33-20/h4,11-12,15-22,24-29H,5-6H2,1-3H3/t11-,12+,15-,16+,17-,18+,19+,20+,21+/m0/s1

0 references

InChIKey

WNGUIPCXGIBNFY-KZSXUCOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WNGUIPCXGIBNFY-KZSXUCOYSA-N

(Q105309077)

1-[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-6-methoxy-3-methylphenyl]ethanone

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