(Q104992834)

English

(2S,3R,4S,5S,6R)-2-[2-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-hydroxy-5-(3-hydroxypropyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[2-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-hydroxy-5-(3-hydroxypropyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

542.199941148 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄O₁₃

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canonical SMILES

OC1=CC=C(C=C1OC)C(O)C(OC2=C(O)C=C(C=C2OC3OC(CO)C(O)C(O)C3O)CCCO)CO

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isomeric SMILES

COc1cc([C@@H](O)[C@H](CO)Oc2c(O)cc(CCCO)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O

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found in taxon

Tetracentron sinense

1 reference

stated in

A new 8-O-4' neolignan glycoside from Tetracentron sinense

Identifiers

InChI

InChI=1S/C25H34O13/c1-35-16-9-13(4-5-14(16)29)20(31)18(10-27)36-24-15(30)7-12(3-2-6-26)8-17(24)37-25-23(34)22(33)21(32)19(11-28)38-25/h4-5,7-9,18-23,25-34H,2-3,6,10-11H2,1H3/t18-,19+,20+,21+,22-,23+,25+/m0/s1

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InChIKey

FBQYBPJOZIMVFL-HCENPMPGSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104992834)

(2S,3R,4S,5S,6R)-2-[2-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-hydroxy-5-(3-hydroxypropyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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