(Q104935949)

English

[(4aS,5S,7S,7aS)-4a,5-dihydroxy-7-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1H-cyclopenta[c]pyran-7a-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4a,5-dihydroxy-7-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1H-cyclopenta[c]pyran-7a-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

406.147511652 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₆O₁₁

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canonical SMILES

O=C(OC12COC=CC2(O)C(O)CC1(OC3OC(CO)C(O)C(O)C3O)C)C

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isomeric SMILES

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

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found in taxon

Teucrium orientale

1 reference

stated in

Fastigenin, harpagide, and 8-O-acetylharpagide fromTeucrium orientale

Identifiers

InChI

InChI=1S/C17H26O11/c1-8(19)27-17-7-25-4-3-16(17,24)10(20)5-15(17,2)28-14-13(23)12(22)11(21)9(6-18)26-14/h3-4,9-14,18,20-24H,5-7H2,1-2H3/t9-,10+,11-,12+,13-,14+,15+,16+,17-/m1/s1

0 references

InChIKey

BHHBWNXFHDILDX-MJJXRLSDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BHHBWNXFHDILDX-MJJXRLSDSA-N

(Q104935949)

[(4aS,5S,7S,7aS)-4a,5-dihydroxy-7-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1H-cyclopenta[c]pyran-7a-yl] acetate

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Identifiers

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