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Details

Stereochemistry ACHIRAL
Molecular Formula C21H18O7
Molecular Weight 382.3634
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOLLICELLIN K

SMILES

CC(C)=CC(=O)C1=C(O)C=C2OC3=C(C=O)C(O)=CC(C)=C3C(=O)OC2=C1C

InChI

InChIKey=GRJLKDCRKHDXSZ-UHFFFAOYSA-N
InChI=1S/C21H18O7/c1-9(2)5-14(24)18-11(4)19-16(7-15(18)25)27-20-12(8-22)13(23)6-10(3)17(20)21(26)28-19/h5-8,23,25H,1-4H3

HIDE SMILES / InChI

Molecular Formula C21H18O7
Molecular Weight 382.3634
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 08:28:38 GMT 2023
Edited
by admin
on Sat Dec 16 08:28:38 GMT 2023
Record UNII
B9ED157N2D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOLLICELLIN K
Common Name English
11H-DIBENZO(B,E)(1,4)DIOXEPIN-4-CARBOXALDEHYDE, 3,7-DIHYDROXY-1,9-DIMETHYL-8-(3-METHYL-1-OXO-2-BUTEN-1-YL)-11-OXO-
Systematic Name English
Code System Code Type Description
PUBCHEM
44254254
Created by admin on Sat Dec 16 08:28:38 GMT 2023 , Edited by admin on Sat Dec 16 08:28:38 GMT 2023
PRIMARY
FDA UNII
B9ED157N2D
Created by admin on Sat Dec 16 08:28:38 GMT 2023 , Edited by admin on Sat Dec 16 08:28:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID001107514
Created by admin on Sat Dec 16 08:28:38 GMT 2023 , Edited by admin on Sat Dec 16 08:28:38 GMT 2023
PRIMARY
CAS
1179374-63-0
Created by admin on Sat Dec 16 08:28:38 GMT 2023 , Edited by admin on Sat Dec 16 08:28:38 GMT 2023
PRIMARY