(Q105285920)

English

[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] 2-(1-hydroxy-4-oxocyclohexyl)acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate

1 reference

based on heuristic

inferred from SMILES

mass

764.21637906 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₀O₁₉

0 references

canonical SMILES

O=C(OC1C(O)C(O)C(OC1OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=C(O)C4)COC5OC(C)C(O)C(O)C5O)CC6(O)CCC(=O)CC6

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isomeric SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](OC(=O)CC3(O)CCC(=O)CC3)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Euryops arabicus

1 reference

stated in

Transformation products of furoeremophilanes and other constituents from Euryops arabicus

Identifiers

InChI

InChI=1S/C35H40O19/c1-13-24(42)27(45)29(47)33(50-13)49-12-21-25(43)28(46)32(53-22(41)11-35(48)6-4-15(36)5-7-35)34(52-21)54-31-26(44)23-19(40)9-16(37)10-20(23)51-30(31)14-2-3-17(38)18(39)8-14/h2-3,8-10,13,21,24-25,27-29,32-34,37-40,42-43,45-48H,4-7,11-12H2,1H3/t13-,21 ,24-,25 ,27 ,28-,29 ,32 ,33 ,34-/m0/s1

0 references

InChIKey

VGNFZNPQSVHSFZ-FBBSCJJRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VGNFZNPQSVHSFZ-FBBSCJJRSA-N

(Q105285920)

[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] 2-(1-hydroxy-4-oxocyclohexyl)acetate

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