CINODINE .BETA.

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H61N13O12
Molecular Weight	867.9494
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(O)CO[C@@]([H])(O[C@@H]2CO[C@H](NC(=O)N[C@@H]3[C@@H](C)O[C@H](OC4=CC=C(\C=C\C(=O)NCCCNCCCCN)C=C4)[C@H](NC(N)=N)[C@H]3O)[C@H](NC(N)=O)[C@H]2O)[C@H](NC(N)=O)[C@@]1([H])N

InChI

InChIKey=YYZIXLHNGARYMJ-PQNNVNIMSA-N

InChI=1S/C36H61N13O12/c1-17-24(48-36(56)49-30-26(47-35(42)55)28(52)21(16-57-30)61-31-25(46-34(41)54)23(38)20(50)15-58-31)29(53)27(45-33(39)40)32(59-17)60-19-8-5-18(6-9-19)7-10-22(51)44-14-4-13-43-12-3-2-11-37/h5-10,17,20-21,23-32,43,50,52-53H,2-4,11-16,37-38H2,1H3,(H,44,51)(H4,39,40,45)(H3,41,46,54)(H3,42,47,55)(H2,48,49,56)/b10-7+/t17-,20-,21-,23+,24-,25-,26-,27-,28+,29+,30+,31+,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H61N13O12
Molecular Weight	867.9494
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:02:32 GMT 2023` Edited by `admin` on `Fri Dec 15 16:02:32 GMT 2023`
Record UNII	GWJ2CCU65Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CINODINE .BETA.

Common Name

English

ANTIBIOTIC BM-123.BETA.1

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C90677

Created by admin on Fri Dec 15 16:02:32 GMT 2023 , Edited by admin on Fri Dec 15 16:02:32 GMT 2023

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FDA UNII

GWJ2CCU65Q

Created by admin on Fri Dec 15 16:02:32 GMT 2023 , Edited by admin on Fri Dec 15 16:02:32 GMT 2023

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PUBCHEM

72941578

Created by admin on Fri Dec 15 16:02:32 GMT 2023 , Edited by admin on Fri Dec 15 16:02:32 GMT 2023

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CAS

62251-27-8

Created by admin on Fri Dec 15 16:02:32 GMT 2023 , Edited by admin on Fri Dec 15 16:02:32 GMT 2023

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