(Q105302580)

English

(2Z,5S)-5-methyl-2-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-ylidene]cyclohexan-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

(2E,5R)-5-methyl-2-(1-{[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-ylidene)cyclohexan-1-one

1 reference

based on heuristic

inferred from SMILES

5-Methyl-2-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-ylidene]cyclohexan-1-one

1 reference

based on heuristic

inferred from SMILES

mass

330.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2E,5S)-5-methyl-2-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-ylidene]cyclohexan-1-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(5R)-5-methyl-2-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-ylidene]cyclohexan-1-one

1 reference

based on heuristic

inferred from InChI

(2E,5R)-5-methyl-2-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-ylidene]cyclohexan-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₆O₇

0 references

canonical SMILES

O=C1C(=C(C)COC2OC(CO)C(O)C(O)C2O)CCC(C)C1

0 references

isomeric SMILES

C/C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C1\CC[C@H](C)CC1=O

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found in taxon

Nepeta tenuifolia

1 reference

stated in

The constituents of Schizonepeta tenuifolia Briq. II Structure of a new monoterpene glucoside, schizonepetoside C.

Identifiers

InChI

InChI=1S/C16H26O7/c1-8-3-4-10(11(18)5-8)9(2)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h8,12-17,19-21H,3-7H2,1-2H3/b10-9-/t8-,12+,13+,14-,15+,16+/m0/s1

0 references

InChIKey

WDPNMVOXTFKLMJ-JDRKUPOPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WDPNMVOXTFKLMJ-JDRKUPOPSA-N

(Q105302580)

(2Z,5S)-5-methyl-2-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-ylidene]cyclohexan-1-one

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