AWOBANIN CATION

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H37O19
Molecular Weight	773.6676
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	1
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]5O[C@H](COC(=O)\C=C\C6=CC=C(O)C=C6)[C@@H](O)[C@H](O)[C@H]5O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=HXWHJZIJSNBCJX-QHVGLBQHSA-O

InChI=1S/C36H36O19/c37-12-24-28(44)30(46)32(48)35(54-24)52-22-10-17(39)9-21-18(22)11-23(34(51-21)15-7-19(40)27(43)20(41)8-15)53-36-33(49)31(47)29(45)25(55-36)13-50-26(42)6-3-14-1-4-16(38)5-2-14/h1-11,24-25,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t24-,25-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H36O19
Molecular Weight	772.6596
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:31:49 GMT 2025` Edited by `admin` on `Mon Mar 31 21:31:49 GMT 2025`
Record UNII	Y6FR7VGE17
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AWOBANIN CATION

Common Name

English

1-BENZOPYRYLIUM, 5-(.BETA.-D-GLUCOPYRANOSYLOXY)-7-HYDROXY-3-((6-O-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-(3,4,5-TRIHYDROXYPHENYL)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

90478740

Created by admin on Mon Mar 31 21:31:49 GMT 2025 , Edited by admin on Mon Mar 31 21:31:49 GMT 2025

PRIMARY

CAS

136031-06-6

Created by admin on Mon Mar 31 21:31:49 GMT 2025 , Edited by admin on Mon Mar 31 21:31:49 GMT 2025

PRIMARY

FDA UNII

Y6FR7VGE17

Created by admin on Mon Mar 31 21:31:49 GMT 2025 , Edited by admin on Mon Mar 31 21:31:49 GMT 2025

PRIMARY