U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C17H14O7
Molecular Weight 330.2895
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PETASIPHENONE

SMILES

c1cc(c(cc1/C(/[H])=C(\[H])/C(=O)OCC(=O)c2ccc(c(c2)O)O)O)O

InChI

InChIKey=DPMVCMFEBYVTFB-QHHAFSJGSA-N
InChI=1S/C17H14O7/c18-12-4-1-10(7-14(12)20)2-6-17(23)24-9-16(22)11-3-5-13(19)15(21)8-11/h1-8,18-21H,9H2/b6-2+

HIDE SMILES / InChI

Molecular Formula C17H14O7
Molecular Weight 330.2895
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 14:04:58 UTC 2021
Edited
by admin
on Sat Jun 26 14:04:58 UTC 2021
Record UNII
80JLG0ZRHZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PETASIPHENONE
Common Name English
2-PROPENOIC ACID, 3-(3,4-DIHYDROXYPHENYL)-, 2-(3,4-DIHYDROXYPHENYL)-2-OXOETHYL ESTER, (E)-
Common Name English
2-PROPENOIC ACID, 3-(3,4-DIHYDROXYPHENYL)-, 2-(3,4-DIHYDROXYPHENYL)-2-OXOETHYL ESTER, (2E)-
Systematic Name English
3,4-DIHYDROXY-PHENACYL CAFFEATE
Common Name English
Code System Code Type Description
CAS
162616-81-1
Created by admin on Sat Jun 26 14:04:58 UTC 2021 , Edited by admin on Sat Jun 26 14:04:58 UTC 2021
PRIMARY
PUBCHEM
16066851
Created by admin on Sat Jun 26 14:04:58 UTC 2021 , Edited by admin on Sat Jun 26 14:04:58 UTC 2021
PRIMARY
FDA UNII
80JLG0ZRHZ
Created by admin on Sat Jun 26 14:04:58 UTC 2021 , Edited by admin on Sat Jun 26 14:04:58 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT