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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H26O18
Molecular Weight 638.4856
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCUTELLAREIN-6,7-DI-O-.BETA.-D-GLUCURONIDE

SMILES

c1cc(ccc1-c2cc(=O)c3c(cc(c(c3O)O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)O)O)O[C@@]5([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O5)O)O)O)o2)O

InChI

InChIKey=LULXLQZGNVNSQH-HDSNNEKOSA-N
InChI=1S/C27H26O18/c28-8-3-1-7(2-4-8)10-5-9(29)13-11(41-10)6-12(42-26-19(35)15(31)17(33)22(44-26)24(37)38)21(14(13)30)43-27-20(36)16(32)18(34)23(45-27)25(39)40/h1-6,15-20,22-23,26-28,30-36H,(H,37,38)(H,39,40)/t15-,16-,17-,18-,19+,20+,22-,23-,26+,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H26O18
Molecular Weight 638.4856
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 08:36:57 UTC 2021
Edited
by admin
on Sat Jun 26 08:36:57 UTC 2021
Record UNII
SRG0P08C3B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SCUTELLAREIN-6,7-DI-O-.BETA.-D-GLUCURONIDE
Common Name English
SCUTELLARIN METABOLITE M2
Common Name English
5-HYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-6,7-DIYL BIS-.BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-HYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-6,7-DIYL BIS-
Systematic Name English
S-6,7-DIG
Common Name English
Code System Code Type Description
PUBCHEM
101012725
Created by admin on Sat Jun 26 08:36:57 UTC 2021 , Edited by admin on Sat Jun 26 08:36:57 UTC 2021
PRIMARY
CAS
261638-68-0
Created by admin on Sat Jun 26 08:36:57 UTC 2021 , Edited by admin on Sat Jun 26 08:36:57 UTC 2021
PRIMARY
FDA UNII
SRG0P08C3B
Created by admin on Sat Jun 26 08:36:57 UTC 2021 , Edited by admin on Sat Jun 26 08:36:57 UTC 2021
PRIMARY
Related Record Type Details
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