(Q105219174)

English

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

1 reference

based on heuristic

inferred from SMILES

(2R,3S,5S)-2-[[(1S,5R,7S)-5,7-dihydroxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

334.126382284 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₄H₂₂O₉

0 references

canonical SMILES

OCC1OC(OC2OC=CC3C(O)CC(O)C23)C(O)C(O)C1O

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isomeric SMILES

OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)C[C@H](O)[C@H]23)[C@H](O)[C@@H](O)[C@@H]1O

0 references

found in taxon

Thunbergia grandiflora

1 reference

stated in

Iridoid glycosides from Thunbergia grandiflora

Identifiers

InChI

InChI=1S/C14H22O9/c15-4-8-10(18)11(19)12(20)14(22-8)23-13-9-5(1-2-21-13)6(16)3-7(9)17/h1-2,5-20H,3-4H2/t5-,6+,7-,8+,9+,10+,11-,12+,13-,14-/m0/s1

0 references

InChIKey

QEFZHWXDJWRKGB-LENKASSYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QEFZHWXDJWRKGB-LENKASSYSA-N

(Q105219174)

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

Statements

Identifiers

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