(Q104986497)

English

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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538.16864102 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₀O₁₃

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canonical SMILES

O=C(OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O)C=CC5=CC=C(O)C(OC)=C5

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@@H]2O[C@H](O[C@@H]3OC=C[C@H]4[C@H](O)[C@@H]5O[C@]5(CO)[C@@H]34)[C@@H](O)[C@@H](O)[C@H]2O)ccc1O

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found in taxon

Neopicrorhiza scrophulariiflora

1 reference

stated in

Iridoids from Neopicrorhiza scrophulariiflora and their hepatoprotective activities in vitro

Scutellaria albida

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stated in

Iridoids from Scutellaria albida ssp. albida

Identifiers

InChI

InChI=1S/C25H30O13/c1-33-14-8-11(2-4-13(14)27)3-5-16(28)35-9-15-19(30)20(31)21(32)24(36-15)37-23-17-12(6-7-34-23)18(29)22-25(17,10-26)38-22/h2-8,12,15,17-24,26-27,29-32H,9-10H2,1H3/b5-3+/t12-,15+,17-,18+,19+,20+,21+,22+,23+,24-,25-/m1/s1

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InChIKey

DPHFMUYFANVRJL-KLPNLWAHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DPHFMUYFANVRJL-KLPNLWAHSA-N

(Q104986497)

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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