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Details

Stereochemistry MIXED
Molecular Formula C14H14O5
Molecular Weight 262.2585
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KHELLACTONE

SMILES

CC1(C)OC2=CC=C3C=CC(=O)OC3=C2C(O)C1O

InChI

InChIKey=HKXQUNNSKMWIKJ-UHFFFAOYSA-N
InChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H14O5
Molecular Weight 262.2585
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
UR04OK5S60
Record Status FAILED
Record Version