(Q105213033)

English

8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

8-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

594.15847026 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₀O₁₅

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canonical SMILES

O=C1C=C(OC=2C(OC3OC(C)C(O)C(O)C3OC4OC(C)C(O)C(O)C4O)=C(O)C=C(O)C12)C=5C=CC(O)=C(O)C5

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isomeric SMILES

C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc34)O[C@H](C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Turnera diffusa

1 reference

stated in

Phytochemical investigation of Turnera diffusa

Identifiers

InChI

InChI=1S/C27H30O15/c1-8-18(33)20(35)22(37)26(38-8)42-25-21(36)19(34)9(2)39-27(25)41-23-15(32)6-13(30)17-14(31)7-16(40-24(17)23)10-3-4-11(28)12(29)5-10/h3-9,18-22,25-30,32-37H,1-2H3/t8-,9+,18-,19+,20+,21-,22+,25+,26-,27-/m0/s1

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InChIKey

PPTAHTNTZGBKHH-LCWUISCTSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105213033)

8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

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