(Q105184862)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

iridoid

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mass

378.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₃₀O₉

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canonical SMILES

OCC1OC(OC2(C)C(O)CC3C(C)C(OC)OCC32)C(O)C(O)C1O

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isomeric SMILES

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

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found in taxon

Patrinia scabra

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stated in

Three New Iridoid Glucosides from the Roots of Patrinia scabra

Trinia scabra

1 reference

stated in

Three New Iridoid Glucosides from the Roots of Patrinia scabra

Identifiers

InChI

InChI=1S/C17H30O9/c1-7-8-4-11(19)17(2,9(8)6-24-15(7)23-3)26-16-14(22)13(21)12(20)10(5-18)25-16/h7-16,18-22H,4-6H2,1-3H3/t7-,8-,9+,10-,11-,12-,13+,14-,15-,16+,17+/m1/s1

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InChIKey

NRWUTPXRYNUSMI-XOLXQSKQSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105184862)

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

Statements

Identifiers

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