(Q104970021)

English

(2R,3R,4R,5R,6S)-2-[[(2S,3R,4R,5S,6S)-6-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[[6-[2-(3,4-Dimethoxyphenyl)-2-hydroxyethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

506.199941148 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₁₃

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canonical SMILES

OC(C1=CC=C(OC)C(OC)=C1)COC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O

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isomeric SMILES

COc1ccc([C@@H](O)CO[C@H]2O[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1OC

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found in taxon

Margyricarpus setosus

1 reference

stated in

Aryl and triterpenic glycosides from Margyricarpus setosus

Margyricarpus pinnatus

1 reference

stated in

Aryl and triterpenic glycosides from Margyricarpus setosus

Identifiers

InChI

InChI=1S/C22H34O13/c1-9-15(24)17(26)19(28)21(34-9)33-8-14-16(25)18(27)20(29)22(35-14)32-7-11(23)10-4-5-12(30-2)13(6-10)31-3/h4-6,9,11,14-29H,7-8H2,1-3H3/t9-,11-,14-,15-,16-,17+,18+,19+,20-,21+,22-/m0/s1

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InChIKey

CTSGPGAEMPJDLH-UJUKTOIDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CTSGPGAEMPJDLH-UJUKTOIDSA-N

(Q104970021)

(2R,3R,4R,5R,6S)-2-[[(2S,3R,4R,5S,6S)-6-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

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Identifiers

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