Summary

IMPPAT Phytochemical identifier: IMPHY007082

Phytochemical name: S-Acetyl dihydroasparagusic acid

Synonymous chemical names:
s-acetyl dihydroasparagusic acid, s-acetyl-dihydroasparagusic acid

External chemical identifiers:
CID:85798858, ChEBI:173932

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Chemical structure information

SMILES:
SCC(C(=O)O)CSC(=O)C

InChI:
InChI=1S/C6H10O3S2/c1-4(7)11-3-5(2-10)6(8)9/h5,10H,2-3H2,1H3,(H,8,9)

InChIKey:
PXKKBEIPDBKGPW-UHFFFAOYSA-N

DeepSMILES:
SCCC=O)O))CSC=O)C

Functional groups:
CC(=O)O, CS, CSC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP-Likeness score: 0.517

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Chemical structure download