(Q105227780)

English

(2S,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-4-[[(2R,3R,4S,5S,6R)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]oxymethyl]-5-hydroxy-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

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subclass of

2-[[4-[(3,4-Dihydroxy-5,6-dimethyloxan-2-yl)oxymethyl]-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

490.205026528 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₁₂

0 references

canonical SMILES

OCC1OC(OC2OC=C(COC3OC(C)C(C)C(O)C3O)C4C(O)C=CC24)C(O)C(O)C1O

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isomeric SMILES

C[C@H]1[C@H](O)[C@@H](O)[C@H](OCC2=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]3C=C[C@@H](O)[C@H]23)O[C@@H]1C

0 references

found in taxon

Mentzelia lindleyi

1 reference

stated in

Iridoid mono- and di-glycosides in Mentzelia

Identifiers

InChI

InChI=1S/C22H34O12/c1-8-9(2)32-21(18(28)15(8)25)31-7-10-6-30-20(11-3-4-12(24)14(10)11)34-22-19(29)17(27)16(26)13(5-23)33-22/h3-4,6,8-9,11-29H,5,7H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+,16-,17+,18-,19-,20+,21-,22+/m1/s1

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InChIKey

QTLCPLWQOYJFAS-OFBURNEVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QTLCPLWQOYJFAS-OFBURNEVSA-N

(Q105227780)

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

Statements

Identifiers

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