(Q105117484)

English

(1S,4aR,5R,7S,7aR)-4,7-dimethyl-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2S,3R,4S,5S,6R)-2-{[(1S,5S,7R)-4a,5,7-trihydroxy-4,7-dimethyl-1H,5H,6H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

2-({4a,5,7-trihydroxy-4,7-dimethyl-1H,5H,6H,7aH-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

378.152597032 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₆O₁₀

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canonical SMILES

OCC1OC(OC2OC=C(C)C3(O)C(O)CC(O)(C)C23)C(O)C(O)C1O

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isomeric SMILES

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

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found in taxon

Lamium purpureum

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stated in

Benzoxazinoids and iridoid glucosides from four Lamium species

Identifiers

InChI

InChI=1S/C16H26O10/c1-6-5-24-14(12-15(2,22)3-8(18)16(6,12)23)26-13-11(21)10(20)9(19)7(4-17)25-13/h5,7-14,17-23H,3-4H2,1-2H3/t7-,8+,9+,10+,11-,12+,13+,14-,15-,16+/m0/s1

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InChIKey

IPTRSKQQZMUJQM-DUBWXSNJSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

IPTRSKQQZMUJQM-DUBWXSNJSA-N

1 reference

(Q105117484)

(1S,4aR,5R,7S,7aR)-4,7-dimethyl-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol

Statements

Identifiers

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