8,9-DIHYDRO-8-(N7-GUANYL)-9-HYDROXYAFLATOXIN B1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H26N5O11
Molecular Weight	596.5222
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of 8,9-DIHYDRO-8-(N7-GUANYL)-9-HYDROXYAFLATOXIN B1

Structure Search

SMILES

[H][C@]12O[C@H]([C@H](O)[C@@]1([H])C3=C(O2)C=C(OC)C4=C3OC(=O)C5=C4CCC5=O)[N+]6=CN([C@H]7C[C@H](O)[C@@H](CO)O7)C8=C6C(=O)NC(N)=N8

InChI

InChIKey=DNDKBFUXFQDLPN-MHRKVAGWSA-O

InChI=1S/C27H25N5O11/c1-39-11-5-12-17(21-16(11)8-2-3-9(34)15(8)25(38)42-21)18-20(36)24(43-26(18)41-12)32-7-31(14-4-10(35)13(6-33)40-14)22-19(32)23(37)30-27(28)29-22/h5,7,10,13-14,18,20,24,26,33,35-36H,2-4,6H2,1H3,(H2-,28,29,30,37)/p+1/t10-,13+,14+,18+,20+,24+,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H25N5O11
Molecular Weight	595.5143
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:38:44 GMT 2023` Edited by `admin` on `Sat Dec 16 14:38:44 GMT 2023`
Record UNII	2TLF36AVR0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

8,9-DIHYDRO-8-(N7-GUANYL)-9-HYDROXYAFLATOXIN B1

Common Name

English

GUANOSINE, 2'-DEOXY-7-((6AS,9AR)-1,2,3,6A,8,9,9A,11-OCTAHYDRO-9-HYDROXY-4-METHOXY-1,11-DIOXOCYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-8-YL)-

Systematic Name

English

1H-PURINIUM, 2-AMINO-9-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-1,9-DIHYDRO-7-((6AS,8R,9R,9AR)-1,2,3,6,8,9,9A,11-OCTAHYDRO-9-HYDROXY-4-METHOXY-1,11-DIOXOCYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-8-YL)-6-OXO-

Systematic Name

English

Code System Code Type Description

FDA UNII

2TLF36AVR0

Created by admin on Sat Dec 16 14:38:44 GMT 2023 , Edited by admin on Sat Dec 16 14:38:44 GMT 2023

PRIMARY

CAS

438626-95-0

Created by admin on Sat Dec 16 14:38:44 GMT 2023 , Edited by admin on Sat Dec 16 14:38:44 GMT 2023

PRIMARY

CAS

245556-78-9

Created by admin on Sat Dec 16 14:38:44 GMT 2023 , Edited by admin on Sat Dec 16 14:38:44 GMT 2023

ALTERNATIVE

PUBCHEM

135564893

Created by admin on Sat Dec 16 14:38:44 GMT 2023 , Edited by admin on Sat Dec 16 14:38:44 GMT 2023

PRIMARY