(Q104935552)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[3-Hydroxy-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

526.205026528 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₄O₁₂

0 references

canonical SMILES

OC1=CC=C(C=C1OC)C(OC2OC(CO)C(O)C(O)C2O)C(OC3=CC=C(C=C3O)CCCO)CO

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isomeric SMILES

COc1cc([C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O

0 references

found in taxon

Pinus sylvestris

1 reference

stated in

The Constituents of Conifer Needles. VI. Phenolic Glycosides from Pinus sylvestris.

Identifiers

InChI

InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)29)24(37-25-23(33)22(32)21(31)19(11-27)36-25)20(12-28)35-17-7-4-13(3-2-8-26)9-16(17)30/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20-,21-,22+,23-,24+,25+/m0/s1

0 references

InChIKey

BGHJPAAKWMIBKL-QVXDOARQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BGHJPAAKWMIBKL-QVXDOARQSA-N

(Q104935552)

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

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