(Q104974778)

English

methyl (1S,2R,4S,5S,6S,10R)-5,10-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

iridoid

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mass

242.079038168 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₁H₁₄O₆

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canonical SMILES

O=C(OC)C1=COC(O)C2C1C(O)C3OC32C

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isomeric SMILES

COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H]1[C@H](O)[C@@H]1O[C@@]12C

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found in taxon

Phlomoides rotata

1 reference

stated in

A new iridoid glucoside from Lamiophlomis rotata

Identifiers

InChI

InChI=1S/C11H14O6/c1-11-6-5(7(12)8(11)17-11)4(9(13)15-2)3-16-10(6)14/h3,5-8,10,12,14H,1-2H3/t5-,6-,7+,8+,10-,11-/m1/s1

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InChIKey

DBSFXQQYSTYAIT-YZDIHIQWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DBSFXQQYSTYAIT-YZDIHIQWSA-N

1 reference

(Q104974778)

methyl (1S,2R,4S,5S,6S,10R)-5,10-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate

Statements

Identifiers

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