(Q104917114)

English

[(2R,3S,4S,5R,6S)-6-[[(2R,3R)-3-acetyloxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (2R)-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-[[3-acetyloxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

578.199941148 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₄O₁₃

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canonical SMILES

O=C(OC1CC2=C(O)C=C(OC3OC(COC(=O)C(C)CC)C(O)C(O)C3O)C=C2OC1C4=CC=C(O)C(O)=C4)C

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isomeric SMILES

CC[C@@H](C)C(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@H](OC(C)=O)C3)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Breynia fruticosa

1 reference

stated in

Glycosides from Breynia fruticosa and Breynia rostrata

Identifiers

InChI

InChI=1S/C28H34O13/c1-4-12(2)27(36)37-11-22-23(33)24(34)25(35)28(41-22)39-15-8-18(31)16-10-21(38-13(3)29)26(40-20(16)9-15)14-5-6-17(30)19(32)7-14/h5-9,12,21-26,28,30-35H,4,10-11H2,1-3H3/t12-,21-,22-,23-,24+,25-,26-,28-/m1/s1

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InChIKey

AQVPKTDBUSQXBL-FQFUJHNMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AQVPKTDBUSQXBL-FQFUJHNMSA-N

(Q104917114)

[(2R,3S,4S,5R,6S)-6-[[(2R,3R)-3-acetyloxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (2R)-2-methylbutanoate

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Identifiers

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