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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17NO7
Molecular Weight 311.2873
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DHURRIN

SMILES

OC[C@H]1O[C@@H](O[C@H](C#N)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=NVLTYOJHPBMILU-YOVYLDAJSA-N
InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H17NO7
Molecular Weight 311.2873
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
P5999IY65C
Record Status Validated (UNII)
Record Version