(Q105116005)

English

[(1S,3S,5R,6S,7S,8R,10S,11S,14R,17S,19S)-6,7-dihydroxy-5-(hydroxymethyl)-12-oxo-2,4,9,13,18-pentaoxapentacyclo[8.7.1.111,14.03,8.017,19]nonadec-15-en-16-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

iridoid

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mass

414.116211524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₂O₁₁

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canonical SMILES

O=C(OCC1=CC2OC(=O)C3C4OC(OC5OC(CO)C(O)C(O)C5O4)C1C23)C

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isomeric SMILES

CC(=O)OCC1=C[C@@H]2OC(=O)[C@@H]3[C@@H]4O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O4)[C@H]1[C@@H]32

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found in taxon

Eucommia ulmoides

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stated in

Iridoids from the green leaves of Eucommia ulmoides

Identifiers

InChI

InChI=1S/C18H22O11/c1-5(20)24-4-6-2-7-10-9(6)16-28-17(11(10)15(23)25-7)27-14-13(22)12(21)8(3-19)26-18(14)29-16/h2,7-14,16-19,21-22H,3-4H2,1H3/t7-,8+,9+,10-,11+,12+,13-,14+,16-,17-,18-/m0/s1

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InChIKey

IMYNUOFRENGSJB-MVRWOANUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IMYNUOFRENGSJB-MVRWOANUSA-N

1 reference

(Q105116005)

[(1S,3S,5R,6S,7S,8R,10S,11S,14R,17S,19S)-6,7-dihydroxy-5-(hydroxymethyl)-12-oxo-2,4,9,13,18-pentaoxapentacyclo[8.7.1.111,14.03,8.017,19]nonadec-15-en-16-yl]methyl acetate

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Identifiers

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