GERALDOL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H12O6
Molecular Weight	300.2629
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GERALDOL

Structure Search

SMILES

COC1=C(O)C=CC(=C1)C2=C(O)C(=O)C3=C(O2)C=C(O)C=C3

InChI

InChIKey=WRFQRUBJBPLPAM-UHFFFAOYSA-N

InChI=1S/C16H12O6/c1-21-13-6-8(2-5-11(13)18)16-15(20)14(19)10-4-3-9(17)7-12(10)22-16/h2-7,17-18,20H,1H3

HIDE SMILES / InChI

Molecular Formula	C16H12O6
Molecular Weight	300.2629
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:18:23 GMT 2023` Edited by `admin` on `Sat Dec 16 17:18:23 GMT 2023`
Record UNII	2KR35TI2XV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GERALDOL

Common Name

English

3,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE

Systematic Name

English

4H-1-BENZOPYRAN-4-ONE, 3,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-

Systematic Name

English

Code System Code Type Description

CAS

21511-25-1

Created by admin on Sat Dec 16 17:18:23 GMT 2023 , Edited by admin on Sat Dec 16 17:18:23 GMT 2023

PRIMARY

EPA CompTox

DTXSID30175851

Created by admin on Sat Dec 16 17:18:23 GMT 2023 , Edited by admin on Sat Dec 16 17:18:23 GMT 2023

PRIMARY

FDA UNII

2KR35TI2XV

Created by admin on Sat Dec 16 17:18:23 GMT 2023 , Edited by admin on Sat Dec 16 17:18:23 GMT 2023

PRIMARY

PUBCHEM

5482101

Created by admin on Sat Dec 16 17:18:23 GMT 2023 , Edited by admin on Sat Dec 16 17:18:23 GMT 2023

PRIMARY

ECHA (EC/EINECS)

244-414-1

Created by admin on Sat Dec 16 17:18:23 GMT 2023 , Edited by admin on Sat Dec 16 17:18:23 GMT 2023

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