U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H24O5
Molecular Weight 308.3695
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ACRL TOXIN II A

SMILES

C\C=C(/C)[C@@H](O)[C@@H](C)\C=C\[C@@H](O)[C@@H](C)C1=CC(O)=CC(=O)O1

InChI

InChIKey=FDSYJSBLPXPUKP-UUDNNSTHSA-N
InChI=1S/C17H24O5/c1-5-10(2)17(21)11(3)6-7-14(19)12(4)15-8-13(18)9-16(20)22-15/h5-9,11-12,14,17-19,21H,1-4H3/b7-6+,10-5+/t11-,12+,14+,17+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ACRL TOXIN II A
Common Name English
2H-PYRAN-2-ONE, 6-(2,6-DIHYDROXY-1,5,7-TRIMETHYL-3,7-NONADIENYL)-4-HYDROXY-, (1R-(1R*,2R*,3E,5S*,6S*,7E))
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID601110248
Created by admin on Sat Dec 16 14:18:28 GMT 2023 , Edited by admin on Sat Dec 16 14:18:28 GMT 2023
PRIMARY
CAS
101951-84-2
Created by admin on Sat Dec 16 14:18:28 GMT 2023 , Edited by admin on Sat Dec 16 14:18:28 GMT 2023
PRIMARY
PUBCHEM
54724811
Created by admin on Sat Dec 16 14:18:28 GMT 2023 , Edited by admin on Sat Dec 16 14:18:28 GMT 2023
PRIMARY
FDA UNII
ZA83MLY2MD
Created by admin on Sat Dec 16 14:18:28 GMT 2023 , Edited by admin on Sat Dec 16 14:18:28 GMT 2023
PRIMARY