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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29O15.Cl
Molecular Weight 616.952
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYANIDIN 3-O-SAMBUBIOSIDE CHLORIDE

SMILES

[Cl-].[H][C@@]5(O[C@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C4=CC(O)=C(O)C=C4)O[C@H](CO)[C@@H](O)[C@@H]1O)OC[C@@H](O)[C@H](O)[C@H]5O

InChI

InChIKey=BWHXEGJOYVNGQH-XOBUMVIESA-N
InChI=1S/C26H28O15.ClH/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9;/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31);1H/t15-,18-,19+,20-,21+,22-,24-,25+,26-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C26H28O15
Molecular Weight 580.4915
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:34:37 GMT 2023
Edited
by admin
on Sat Dec 16 07:34:37 GMT 2023
Record UNII
4BIT5WSL15
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYANIDIN 3-O-SAMBUBIOSIDE CHLORIDE
Common Name English
FLAVYLIUM, 4',5,5',7-TETRAHYDROXY-3-((2-O-.BETA.-D-XYLOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, CHLORIDE
Systematic Name English
CYANIDIN 3-SAMBUBIOSIDE
Common Name English
CYANIDINE 3-SAMBUBIOSIDE
Common Name English
1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-((2-O-.BETA.-D-XYLOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, CHLORIDE (1:1)
Systematic Name English
SAMBICYANIN
Common Name English
CYANIDIN 3-XYLOGLUCOSIDE
Common Name English
CYANIDIN 3-O-(2-O-.BETA.-XYLOPYRANOSYL)-.BETA.-GLUCOPYRANOSIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30954628
Created by admin on Sat Dec 16 07:34:38 GMT 2023 , Edited by admin on Sat Dec 16 07:34:38 GMT 2023
PRIMARY
FDA UNII
4BIT5WSL15
Created by admin on Sat Dec 16 07:34:38 GMT 2023 , Edited by admin on Sat Dec 16 07:34:38 GMT 2023
PRIMARY
PUBCHEM
3084569
Created by admin on Sat Dec 16 07:34:38 GMT 2023 , Edited by admin on Sat Dec 16 07:34:38 GMT 2023
PRIMARY
CHEBI
74811
Created by admin on Sat Dec 16 07:34:38 GMT 2023 , Edited by admin on Sat Dec 16 07:34:38 GMT 2023
PRIMARY
CAS
33012-73-6
Created by admin on Sat Dec 16 07:34:38 GMT 2023 , Edited by admin on Sat Dec 16 07:34:38 GMT 2023
PRIMARY
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