(Q105194592)

English

2,3,7-trimethoxy-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

2,3,7-Trimethoxy-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

626.184685008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₄O₁₆

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canonical SMILES

O=C1C2=CC(OC)=CC=C2OC3=CC(OC)=C(OC)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)=C13

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isomeric SMILES

COc1ccc2oc3cc(OC)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c3c(=O)c2c1

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found in taxon

Halenia corniculata

1 reference

stated in

Xanthones, secoiridoids and flavonoids from Halenia corniculata

Identifiers

InChI

InChI=1S/C28H34O16/c1-37-10-4-5-12-11(6-10)18(30)17-13(41-12)7-14(38-2)25(39-3)26(17)44-28-24(36)22(34)20(32)16(43-28)9-40-27-23(35)21(33)19(31)15(8-29)42-27/h4-7,15-16,19-24,27-29,31-36H,8-9H2,1-3H3/t15-,16-,19-,20-,21+,22+,23-,24-,27-,28+/m1/s1

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InChIKey

ONDCEYFCZKFFLX-IUBIHQSYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105194592)

2,3,7-trimethoxy-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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