(Q105219731)

English

(2S,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl]oxy-3,5-dihydroxy-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methoxy]oxan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

6-[[6-[2-(3,4-Dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl]oxy-3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)methoxy]oxan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

784.2062083 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₀O₂₁

0 references

canonical SMILES

O=C(O)C1OC(OCC2OC(OC=3C=C(O)C=C4OC(=CC(=O)C43)C=5C=CC(O)=C(O)C5)C(O)C(OCC6OC(C)C(O)C(O)C6O)C2O)C(O)C(O)C1O

0 references

isomeric SMILES

C[C@@H]1O[C@@H](CO[C@@H]2[C@@H](O)[C@H](Oc3cc(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c34)O[C@H](CO[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

0 references

Globularia alypum

1 reference

Phenylethyl Glycosides fromGlobularia alypumGrowing in Turkey

Identifiers

InChI=1S/C34H40O21/c1-10-22(39)25(42)23(40)19(51-10)8-49-30-24(41)20(9-50-33-28(45)26(43)27(44)31(55-33)32(47)48)54-34(29(30)46)53-18-6-12(35)5-17-21(18)15(38)7-16(52-17)11-2-3-13(36)14(37)4-11/h2-7,10,19-20,22-31,33-37,39-46H,8-9H2,1H3,(H,47,48)/t10-,19-,20+,22-,23-,24+,25+,26-,27-,28+,29+,30-,31-,33+,34+/m0/s1

0 references

QFRYQWYZSQDFOS-KAAOTKJTSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

QFRYQWYZSQDFOS-KAAOTKJTSA-N

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