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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H18O7
Molecular Weight 382.3634
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MITORUBRIN

SMILES

C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)C3=C(C)C=C(O)C=C3O)C(=O)C2=CO1

InChI

InChIKey=ZLULUXWJVBHEMS-KTBYTZPXSA-N
InChI=1S/C21H18O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-10,22-23H,1-3H3/b5-4+/t21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H18O7
Molecular Weight 382.3634
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:00:13 GMT 2025
Edited
by admin
on Mon Mar 31 19:00:13 GMT 2025
Record UNII
N5I8GAO703
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MITORUBRIN
Common Name English
(-)-MITORUBRIN
Preferred Name English
BENZOIC ACID, 2,4-DIHYDROXY-6-METHYL-, 7,8-DIHYDRO-7-METHYL-6,8-DIOXO-3-(1-PROPENYL)-6H-2-BENZOPYRAN-7-YL ESTER, (R-(E))-
Systematic Name English
.BETA.-RESORCYLIC ACID, 6-METHYL-, ESTER WITH 7-HYDROXY-7-METHYL-3-PROPENYL-6H-2-BENZOPYRAN-6,8(7H)-DIONE
Common Name English
Code System Code Type Description
PUBCHEM
6451554
Created by admin on Mon Mar 31 19:00:13 GMT 2025 , Edited by admin on Mon Mar 31 19:00:13 GMT 2025
PRIMARY
CAS
3403-71-2
Created by admin on Mon Mar 31 19:00:13 GMT 2025 , Edited by admin on Mon Mar 31 19:00:13 GMT 2025
PRIMARY
FDA UNII
N5I8GAO703
Created by admin on Mon Mar 31 19:00:13 GMT 2025 , Edited by admin on Mon Mar 31 19:00:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID401318351
Created by admin on Mon Mar 31 19:00:13 GMT 2025 , Edited by admin on Mon Mar 31 19:00:13 GMT 2025
PRIMARY