(Q105237145)

English

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,2R)-4-[(1R,4S,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-yl]oxyoxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-(Hydroxymethyl)-6-[4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-yloxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

388.209717984 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(E,2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-yl]oxyoxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,1S)-3-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-1-methyl-allyloxy]tetrahydropyran-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

1 reference

(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(E,2S)-4-[(1S,4R,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-yl]oxyoxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-yl]oxyoxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(4S)-4-[(R,E)-3-(beta-D-Glucopyranosyloxy)-1-butenyl]-3beta,4beta-epoxy-3,5,5-trimethylcyclohexane-1alpha-ol

1 reference

based on heuristic

inferred from InChI

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,2R)-4-[(1S,4R,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-yl]oxyoxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₃₂O₈

0 references

canonical SMILES

OCC1OC(OC(C=CC23OC3(C)CC(O)CC2(C)C)C)C(O)C(O)C1O

0 references

isomeric SMILES

C[C@H](/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Phlomis aurea

1 reference

stated in

Iridoid and megastigmane glycosides from Phlomis aurea

Identifiers

InChI

InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13+,14+,15-,16-,18+,19-/m1/s1

0 references

InChIKey

RIUMIKAUMHZQMP-GJATVJKVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RIUMIKAUMHZQMP-GJATVJKVSA-N

(Q105237145)

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,2R)-4-[(1R,4S,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-yl]oxyoxane-3,4,5-triol

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Identifiers

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