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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H22O10
Molecular Weight 482.4362
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SILIBININ B

SMILES

COC1=CC(=CC=C1O)[C@@H]2OC3=CC(=CC=C3O[C@H]2CO)[C@H]4OC5=C(C(=O)[C@@H]4O)C(O)=CC(O)=C5

InChI

InChIKey=SEBFKMXJBCUCAI-WAABAYLZSA-N
InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H22O10
Molecular Weight 482.4362
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:54:37 UTC 2023
Edited
by admin
on Sat Dec 16 04:54:37 UTC 2023
Record UNII
853OHH1429
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SILIBININ B
Common Name English
4H-1-BENZOPYRAN-4-ONE, 2-((2S,3S)-2,3-DIHYDRO-3-(4-HYDROXY-3-METHOXYPHENYL)-2-(HYDROXYMETHYL)-1,4-BENZODIOXIN-6-YL)-2,3-DIHYDRO-3,5,7-TRIHYDROXY-, (2R,3R)-
Systematic Name English
SILYBIN B
MI  
Common Name English
SILYBIN B [MI]
Common Name English
SILYBIN B (CONSTITUENT OF MILK THISTLE) [DSC]
Common Name English
Code System Code Type Description
SMS_ID
300000005285
Created by admin on Sat Dec 16 04:54:37 UTC 2023 , Edited by admin on Sat Dec 16 04:54:37 UTC 2023
PRIMARY
MERCK INDEX
m9941
Created by admin on Sat Dec 16 04:54:37 UTC 2023 , Edited by admin on Sat Dec 16 04:54:37 UTC 2023
PRIMARY Merck Index
PUBCHEM
1548994
Created by admin on Sat Dec 16 04:54:37 UTC 2023 , Edited by admin on Sat Dec 16 04:54:37 UTC 2023
PRIMARY
FDA UNII
853OHH1429
Created by admin on Sat Dec 16 04:54:37 UTC 2023 , Edited by admin on Sat Dec 16 04:54:37 UTC 2023
PRIMARY
CAS
142797-34-0
Created by admin on Sat Dec 16 04:54:37 UTC 2023 , Edited by admin on Sat Dec 16 04:54:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID30858697
Created by admin on Sat Dec 16 04:54:37 UTC 2023 , Edited by admin on Sat Dec 16 04:54:37 UTC 2023
PRIMARY
Related Record Type Details
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