(Q104665545)

English

(2R,3R,4S,5S,6R)-2-[[(1S,2R,3R,5R,8R)-3-hydroxy-8-[(E,3R)-3-hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[[3-Hydroxy-8-(3-hydroxybut-1-enyl)-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

404.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₃₂O₉

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canonical SMILES

OCC1OC(OC2C(O)CC3(OCC2(C)C3C=CC(O)C)C)C(O)C(O)C1O

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isomeric SMILES

C[C@@H](O)/C=C/[C@@H]1[C@@]2(C)CO[C@]1(C)C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Euphorbia resinifera

1 reference

stated in

Bisnorsesquiterpenoids from Euphorbia resinifera Berg. and an Expeditious Procedure to Obtain Resiniferatoxin from Its Fresh Latex

Identifiers

InChI

InChI=1S/C19H32O9/c1-9(21)4-5-12-18(2)8-26-19(12,3)6-10(22)16(18)28-17-15(25)14(24)13(23)11(7-20)27-17/h4-5,9-17,20-25H,6-8H2,1-3H3/b5-4+/t9-,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-/m1/s1

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InChIKey

QEBWOBFSNAGMNR-ACFVITIISA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

QEBWOBFSNAGMNR-ACFVITIISA-N

1 reference

(Q104665545)

(2R,3R,4S,5S,6R)-2-[[(1S,2R,3R,5R,8R)-3-hydroxy-8-[(E,3R)-3-hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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