(Q105264650)

English

7-hydroxy-2,3,4,5-tetramethoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one

chemical compound

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instance of

type of chemical entity

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subclass of

7-Hydroxy-2,3,4,5-tetramethoxy-1-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one

1 reference

based on heuristic

inferred from SMILES

mass

672.190164312 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆O₁₈

0 references

canonical SMILES

O=C1C=2C=C(O)C=C(OC)C2OC3=C(OC)C(OC)=C(OC)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)=C13

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isomeric SMILES

COc1c(OC)c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)c3cc(O)cc(OC)c3oc2c1OC

0 references

found in taxon

Halenia corniculata

1 reference

stated in

Xanthones, secoiridoids and flavonoids from Halenia corniculata

Identifiers

InChI

InChI=1S/C29H36O18/c1-39-11-6-9(31)5-10-15(32)14-23(46-22(10)11)25(40-2)27(42-4)26(41-3)24(14)47-29-21(38)19(36)17(34)13(45-29)8-43-28-20(37)18(35)16(33)12(7-30)44-28/h5-6,12-13,16-21,28-31,33-38H,7-8H2,1-4H3/t12-,13-,16-,17-,18+,19+,20-,21-,28-,29+/m1/s1

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InChIKey

TUAXREMDUVZBLN-GYABDZSSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TUAXREMDUVZBLN-GYABDZSSSA-N

(Q105264650)

7-hydroxy-2,3,4,5-tetramethoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one

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