(Q104965180)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

330.167853172 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₆O₇

0 references

canonical SMILES

O=C1CC(C)CCC1C(=COC2OC(CO)C(O)C(O)C2O)C

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isomeric SMILES

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

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found in taxon

Ziziphora clinopodioides

1 reference

stated in

Monoterpene glucosides from Ziziphora clinopodioides (Labiatae).

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/h7-8,10,12-17,19-21H,3-6H2,1-2H3/t8-,10+,12-,13-,14+,15-,16-/m1/s1

0 references

InChIKey

CMULNSPKSRFQAF-RFUIKPDBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CMULNSPKSRFQAF-RFUIKPDBSA-N

(Q104965180)

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

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