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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H14O5
Molecular Weight 286.2794
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHYLLODULCIN

SMILES

COC1=CC=C(C=C1O)[C@H]2CC3=CC=CC(O)=C3C(=O)O2

InChI

InChIKey=PBILBHLAPJTJOT-CQSZACIVSA-N
InChI=1S/C16H14O5/c1-20-13-6-5-9(7-12(13)18)14-8-10-3-2-4-11(17)15(10)16(19)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H14O5
Molecular Weight 286.2794
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
9DDW04R41V
Record Status Validated (UNII)
Record Version