(Q104980095)

English

(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(1S)-3,5,5-trimethyl-4-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-3-en-1-yl]oxyoxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-(Hydroxymethyl)-6-[3,5,5-trimethyl-4-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-3-en-1-yl]oxyoxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

536.283276848 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₂₅H₄₄O₁₂

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canonical SMILES

OCC1OC(OC(C)CCC2=C(C)CC(OC3OC(CO)C(O)C(O)C3O)CC2(C)C)C(O)C(O)C1O

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isomeric SMILES

CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1

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found in taxon

Micromeles japonica

1 reference

stated in

Linarionosides A–C and acyclic monoterpene diglucosides from Linaria japonica

Linaria japonica

1 reference

stated in

Linarionosides A–C and acyclic monoterpene diglucosides from Linaria japonica

Alniaria japonica

1 reference

stated in

Linarionosides A–C and acyclic monoterpene diglucosides from Linaria japonica

Identifiers

InChI

InChI=1S/C25H44O12/c1-11-7-13(35-24-22(33)20(31)18(29)16(10-27)37-24)8-25(3,4)14(11)6-5-12(2)34-23-21(32)19(30)17(28)15(9-26)36-23/h12-13,15-24,26-33H,5-10H2,1-4H3/t12-,13+,15-,16+,17-,18+,19+,20-,21-,22+,23-,24+/m1/s1

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InChIKey

DHHQJIJHAFUHHD-BXLIXUOISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DHHQJIJHAFUHHD-BXLIXUOISA-N

(Q104980095)

(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(1S)-3,5,5-trimethyl-4-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-3-en-1-yl]oxyoxane-3,4,5-triol

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