(Q104961548)

English

(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7aS)-7-(hydroxymethyl)-5-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-(Hydroxymethyl)-6-[[7-(hydroxymethyl)-5-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

360.142032348 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-7-(hydroxymethyl)-5-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₄O₉

0 references

canonical SMILES

OCC1=CC(OC)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12

0 references

isomeric SMILES

CO[C@H]1C=C(CO)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@H]21

0 references

found in taxon

Pedicularis artselaeri

1 reference

stated in

Iridoid and phenylpropanoid glycosides from Pedicularis artselaeri

Identifiers

InChI

InChI=1S/C16H24O9/c1-22-9-4-7(5-17)11-8(9)2-3-23-15(11)25-16-14(21)13(20)12(19)10(6-18)24-16/h2-4,8-21H,5-6H2,1H3/t8-,9-,10+,11+,12+,13-,14+,15-,16-/m0/s1

0 references

InChIKey

CJQZGOSZRGOGDQ-AVCYFUTBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CJQZGOSZRGOGDQ-AVCYFUTBSA-N

(Q104961548)

(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7aS)-7-(hydroxymethyl)-5-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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