(Q104989178)

English

3-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-[3,4-Dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

624.169034944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-(5-O-alpha-L-Rhamnopyranosyl-alpha-L-arabinofuranosyloxy)-4',5,7-trihydroxy-3',5'-dimethoxyflavone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₂O₁₆

0 references

canonical SMILES

O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C2O)=C(OC=4C=C(O)C=C(O)C14)C=5C=C(OC)C(O)=C(OC)C5

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isomeric SMILES

COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[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]2O)cc(OC)c1O

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found in taxon

Lysimachia congestiflora

1 reference

stated in

Flavonol glycosides from Lysimachia congestiflora

Identifiers

InChI

InChI=1S/C28H32O16/c1-9-18(31)22(35)24(37)27(41-9)40-8-16-20(33)23(36)28(43-16)44-26-21(34)17-12(30)6-11(29)7-13(17)42-25(26)10-4-14(38-2)19(32)15(5-10)39-3/h4-7,9,16,18,20,22-24,27-33,35-37H,8H2,1-3H3/t9-,16-,18+,20+,22-,23+,24+,27-,28+/m1/s1

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InChIKey

DUDOAFBUHCTQHF-IFTVIQGUSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104989178)

3-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one

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Identifiers

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