(Q105345702)

English

(2R,3R,4S,5S,6R)-2-[(1R,2R)-2-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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1 reference

1 reference

2-{[2-hydroxy-4-(3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)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

(2R,3R,4S,5S,6R)-2-[(1S,2R)-2-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(2R,3R,4S,5S,6R)-2-[(1S,2S)-2-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₃₂O₈

0 references

canonical SMILES

OCC1OC(OC2CC(C(C=CC(O)C)=C(C)C2O)(C)C)C(O)C(O)C1O

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isomeric SMILES

CC1=C(/C=C/[C@@H](C)O)C(C)(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O

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found in taxon

Acanthus ebracteatus

1 reference

stated in

Megastigmane, aliphatic alcohol and benzoxazinoid glycosides from Acanthus ebracteatus

Pluchea indica

1 reference

stated in

Terpenic glycosides from Pluchea indica

Identifiers

InChI

InChI=1S/C19H32O8/c1-9(21)5-6-11-10(2)14(22)12(7-19(11,3)4)26-18-17(25)16(24)15(23)13(8-20)27-18/h5-6,9,12-18,20-25H,7-8H2,1-4H3/b6-5+/t9-,12-,13-,14-,15-,16+,17-,18-/m1/s1

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InChIKey

YAYNNRVFBBEPHH-PYTICKILSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YAYNNRVFBBEPHH-PYTICKILSA-N

(Q105345702)

(2R,3R,4S,5S,6R)-2-[(1R,2R)-2-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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