(Q104965184)

English

Shizonepetoside A

chemical compound

In more languages

Statements

type of chemical entity

0 references

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

330.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Ziziphoroside B

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

2 references

based on heuristic

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

(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

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

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

0 references

Ziziphora clinopodioides

1 reference

Monoterpene glucosides from Ziziphora clinopodioides (Labiatae).

Identifiers

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/b9-7+/t8-,10+,12-,13-,14+,15-,16-/m1/s1

0 references

CMULNSPKSRFQAF-RXGLUSGISA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

CMULNSPKSRFQAF-RXGLUSGISA-N

UniChem compound ID

1 reference

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