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IdentifiersCAS 7681-93-8

Identifiers

CAS
7681-93-8
Formula
C₃₃H₄₇NO₁₃
InChIKey
NCXMLFZGDNKEPB-FFPOYIOWSA-N
InChI
InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32+,33-/m1/s1
SMILES
CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O
C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]3[C@H](O3)/C=C/C(=O)O1)O)O)O)C(=O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)C)O)N)O
PubChem CID
5284447
ChemSpider
10468784
EC number
231-683-5
ChEBI
7488
ChEMBL
CHEMBL1200656
KEGG
D00884
Wikidata
Q248466
CCID name
Natamycin, >26% in a non hazardous diluent

Synonyms (32)

6 · 11 · 28-Trioxatricyclo[22.3.1.05 · 7]octacosa-8 · 14 · 16 · 18 · 20-pentaene-25-carboxylic acid · 22-[(3-amino-3 · 6-dideoxy-.beta.-D-mannopyranosyl)oxy]-1 · 3 · 26-trihydroxy-12-methyl-10-oxo- · (1R · 3S · 5R · 7R · 8E · 12R · 14E · 16E · 18E · 20E · 22R · 24S · 25R · 26S)- · CL-12625 · E235 · PMR · antibiotic A-5283 · myprozine · pimaricin

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