CINODINE II

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H59N13O13
Molecular Weight	893.9437
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CO[C@@]([H])(O[C@@H]3CO[C@H](NC(=O)N[C@@H]4[C@@H](C)O[C@H](OC5=CC=C(\C=C\C(=O)NCCCNCCCCN)C=C5)[C@H](NC(N)=N)[C@H]4O)[C@H](NC(N)=O)[C@H]3O)[C@H](NC(N)=O)[C@@]1([H])NC(=O)O2

InChI

InChIKey=JFKMOESWBQOEER-DXFZHRLCSA-N

InChI=1S/C37H59N13O13/c1-17-23(29(53)27(45-33(39)40)32(60-17)61-19-8-5-18(6-9-19)7-10-22(51)44-14-4-13-43-12-3-2-11-38)48-36(56)50-30-26(47-35(42)55)28(52)21(16-58-30)62-31-25(46-34(41)54)24-20(15-59-31)63-37(57)49-24/h5-10,17,20-21,23-32,43,52-53H,2-4,11-16,38H2,1H3,(H,44,51)(H,49,57)(H4,39,40,45)(H3,41,46,54)(H3,42,47,55)(H2,48,50,56)/b10-7+/t17-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30+,31+,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H59N13O13
Molecular Weight	893.9437
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 15:28:33 GMT 2023` Edited by `admin` on `Fri Dec 15 15:28:33 GMT 2023`
Record UNII	3P9D2455VP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CINODINE II

Common Name

English

ANTIBIOTIC BM-123.GAMMA.2

Common Name

English

CINODINE .GAMMA.(SUB 2)

Common Name

English

Code System Code Type Description

CAS

60830-75-3

Created by admin on Fri Dec 15 15:28:33 GMT 2023 , Edited by admin on Fri Dec 15 15:28:33 GMT 2023

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NCI_THESAURUS

C90681

Created by admin on Fri Dec 15 15:28:33 GMT 2023 , Edited by admin on Fri Dec 15 15:28:33 GMT 2023

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PUBCHEM

6540486

Created by admin on Fri Dec 15 15:28:33 GMT 2023 , Edited by admin on Fri Dec 15 15:28:33 GMT 2023

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FDA UNII

3P9D2455VP

Created by admin on Fri Dec 15 15:28:33 GMT 2023 , Edited by admin on Fri Dec 15 15:28:33 GMT 2023

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