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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H10O4
Molecular Weight 194.184
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYMELLEIN, TRANS-

SMILES

C[C@H]1OC(=O)C2=C(C=CC=C2O)[C@@H]1O

InChI

InChIKey=STSOHAOGZMLWFR-MLUIRONXSA-N
InChI=1S/C10H10O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h2-5,9,11-12H,1H3/t5-,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H10O4
Molecular Weight 194.184
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:00:08 GMT 2025
Edited
by admin
on Mon Mar 31 23:00:08 GMT 2025
Record UNII
MS07A53A6J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3R,4S)-4-HYDROXYMELLEIN
Preferred Name English
4-HYDROXYMELLEIN, TRANS-
Common Name English
1H-2-BENZOPYRAN-1-ONE, 3,4-DIHYDRO-4,8-DIHYDROXY-3-METHYL-, (3R-TRANS)-
Systematic Name English
TRANS-4-HYDROXYMELLEIN
Common Name English
1H-2-BENZOPYRAN-1-ONE, 3,4-DIHYDRO-4,8-DIHYDROXY-3-METHYL-, (3R,4S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10262028
Created by admin on Mon Mar 31 23:00:08 GMT 2025 , Edited by admin on Mon Mar 31 23:00:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID60437474
Created by admin on Mon Mar 31 23:00:08 GMT 2025 , Edited by admin on Mon Mar 31 23:00:08 GMT 2025
PRIMARY
CAS
33788-22-6
Created by admin on Mon Mar 31 23:00:08 GMT 2025 , Edited by admin on Mon Mar 31 23:00:08 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
CAS
70287-70-6
Created by admin on Mon Mar 31 23:00:08 GMT 2025 , Edited by admin on Mon Mar 31 23:00:08 GMT 2025
PRIMARY
FDA UNII
MS07A53A6J
Created by admin on Mon Mar 31 23:00:08 GMT 2025 , Edited by admin on Mon Mar 31 23:00:08 GMT 2025
PRIMARY