PETASIPHENONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H14O7
Molecular Weight	330.2889
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC=C(\C=C\C(=O)OCC(=O)C2=CC=C(O)C(O)=C2)C=C1O

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	330.2889
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 `Mon Mar 31 22:42:49 GMT 2025` Edited by `admin` on `Mon Mar 31 22:42:49 GMT 2025`
Record UNII	80JLG0ZRHZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PETASIPHENONE

Common Name

English

2-PROPENOIC ACID, 3-(3,4-DIHYDROXYPHENYL)-, 2-(3,4-DIHYDROXYPHENYL)-2-OXOETHYL ESTER, (E)-

Preferred 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 Mon Mar 31 22:42:49 GMT 2025 , Edited by admin on Mon Mar 31 22:42:49 GMT 2025

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EPA CompTox

DTXSID801141069

Created by admin on Mon Mar 31 22:42:49 GMT 2025 , Edited by admin on Mon Mar 31 22:42:49 GMT 2025

PRIMARY

PUBCHEM

16066851

Created by admin on Mon Mar 31 22:42:49 GMT 2025 , Edited by admin on Mon Mar 31 22:42:49 GMT 2025

PRIMARY

FDA UNII

80JLG0ZRHZ

Created by admin on Mon Mar 31 22:42:49 GMT 2025 , Edited by admin on Mon Mar 31 22:42:49 GMT 2025

PRIMARY

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