(Q105302526)

English

(1S,4aR,7aS)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-5-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

490.16864102 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,4aR,7aR)-7-methyl-1-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₀O₁₃

0 references

canonical SMILES

O=C1C=C(C)C2C(OC=CC12OC3OC(C)C(O)C(O)C3O)OC4OC(CO)C(O)C(O)C4O

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isomeric SMILES

CC1=CC(=O)[C@@]2(O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12

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found in taxon

Teucrium hircanicum

1 reference

stated in

Teucardosid, ein neues iridoid aus teucrium arduini L. und teucrium hircanicum L.

Identifiers

InChI

InChI=1S/C21H30O13/c1-7-5-10(23)21(34-20-17(29)14(26)12(24)8(2)31-20)3-4-30-18(11(7)21)33-19-16(28)15(27)13(25)9(6-22)32-19/h3-5,8-9,11-20,22,24-29H,6H2,1-2H3/t8-,9+,11+,12-,13+,14+,15-,16+,17+,18-,19-,20+,21-/m0/s1

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InChIKey

WDMQLCVSWBENIY-LLTKXAKRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WDMQLCVSWBENIY-LLTKXAKRSA-N

(Q105302526)

(1S,4aR,7aS)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-5-one

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