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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19NO3
Molecular Weight 237.2949
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PELLOTINE

SMILES

COC1=C(OC)C(O)=C2[C@H](C)N(C)CCC2=C1

InChI

InChIKey=NKHMWHLJHODBEP-QMMMGPOBSA-N
InChI=1S/C13H19NO3/c1-8-11-9(5-6-14(8)2)7-10(16-3)13(17-4)12(11)15/h7-8,15H,5-6H2,1-4H3/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H19NO3
Molecular Weight 237.2949
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
7RW0YY488A
Record Status Validated (UNII)
Record Version