(Q104961714)

English

(E)-4-[(1S,4S,6R)-4-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

4-[4-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-one

1 reference

based on heuristic

inferred from SMILES

mass

520.25197672 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₄₀O₁₂

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canonical SMILES

O=C(C=CC1(O)C(C)CC(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)CC1(C)C)C

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isomeric SMILES

CC(=O)/C=C/[C@@]1(O)[C@H](C)C[C@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C

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found in taxon

Breynia fruticosa

1 reference

stated in

Glycosides from Breynia fruticosa and Breynia rostrata

Dulacia inopiflora

1 reference

stated in

Isoprenoid glycosides from Liriosma ovata.

Identifiers

InChI

InChI=1S/C24H40O12/c1-12-7-14(8-22(3,4)24(12,32)6-5-13(2)26)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-6,12,14-21,25,27-32H,7-11H2,1-4H3/b6-5+/t12-,14+,15-,16-,17+,18-,19+,20-,21-,23-,24-/m1/s1

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InChIKey

CJUNXUOKDZNOLO-GZPNCSACSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CJUNXUOKDZNOLO-GZPNCSACSA-N

1 reference

(Q104961714)

(E)-4-[(1S,4S,6R)-4-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-one

Statements

Identifiers

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