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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H15NO3
Molecular Weight 185.2203
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ECGONINE

SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@@H](O)C2)C(O)=O

InChI

InChIKey=PHMBVCPLDPDESM-FKSUSPILSA-N
InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8+/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H15NO3
Molecular Weight 185.2203
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
DX2E9E17AV
Record Status Validated (UNII)
Record Version