(Q104998398)

English

[(3S,4R,5R)-5-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3,4,5-trimethoxyphenoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(5-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(3,4,5-trimethoxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 4-hydroxy-3-methoxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

628.200335072 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₆O₁₆

0 references

canonical SMILES

O=C(OCC1(O)COC(OC2C(OC=3C=C(OC)C(OC)=C(OC)C3)OC(CO)C(O)C2O)C1O)C4=CC=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(C(=O)OC[C@@]2(O)CO[C@H](O[C@@H]3[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]3Oc3cc(OC)c(OC)c(OC)c3)[C@@H]2O)ccc1O

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found in taxon

Santisukia kerrii

1 reference

stated in

Phenolic glycosides from Barnettia kerrii

Markhamia stipulata

1 reference

stated in

Phenolic glycosides from Markhamia stipulata

Identifiers

InChI

InChI=1S/C28H36O16/c1-36-16-7-13(5-6-15(16)30)25(34)40-11-28(35)12-41-27(24(28)33)44-23-21(32)20(31)19(10-29)43-26(23)42-14-8-17(37-2)22(39-4)18(9-14)38-3/h5-9,19-21,23-24,26-27,29-33,35H,10-12H2,1-4H3/t19-,20+,21+,23-,24+,26+,27-,28-/m1/s1

0 references

InChIKey

FNNPPDWPJSIZBK-RUHAQPDCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FNNPPDWPJSIZBK-RUHAQPDCSA-N

1 reference

(Q104998398)

[(3S,4R,5R)-5-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3,4,5-trimethoxyphenoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate

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Identifiers

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