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aranotin

PropertiesImage
MNX_IDMNXM42509 Image of MNXM42509
referencechebi:88274
formulaC20H18N2O7S2
global charge0
mol weight462.505
InChIKeyHXWOWBFXYUFFKS-PSJNWGMYSA-N
InChIInChI=1S/C20H18N2O7S2/c1-10(23)29-14-3-5-28-9-12-7-20-17(25)21-15-11(8-27-4-2-13(15)24)6-19(21,30-31-20)18(26)22(20)16(12)14/h2-5,8-9,13-16,24H,6-7H2,1H3/t13-,14-,15-,16-,19+,20+/m0/s1
SMILESCC(=O)O[C@H]1C=COC=C2C[C@@]34SS[C@]5(CC6=COC=C[C@H](O)[C@H]6N5C3=O)C(=O)N4[C@@H]21
MNX internals
InChI (mnx)InChI=1/C20H18N2O7S2/c1-10(23)29-14-3-5-28-9-12-7-20-17(25)21-15-11(8-27-4-2-13(15)24)6-19(21,30-31-20)18(26)22(20)16(12)14/h2-5,8-9,13-16,24H,6-7H2,1H3/t13-,14-,15-,16-,19+,20+/m0/s1 Image of MNXM42509
SMILES (mnx)[CH3:1][C:10](=[O:23])[O:29][C@H:14]1[CH:3]=[CH:5][O:28][CH:9]=[C:12]2[CH2:7][C@@:20]34[C:17](=[O:25])[N:21]5[C@H:15]6[C:11](=[CH:8][O:27][CH:4]=[CH:2][C@@H:13]6[OH:24])[CH2:6][C@:19]5([C:18](=[O:26])[N:22]3[C@@H:16]21)[S:30][S:31]4
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:88274
chebi:88274
HXWOWBFXYUFFKS-PSJNWGMYSA-N 		aranotin
(5S,5aS,7aR,13S,13aS,15aR)-13-hydroxy-7,15-dioxo-5,5a,13,13a-tetrahydro-7H,8H,15H,16H-7a,15a-epidithiobisoxepino[3',4':4,5]pyrrolo[1,2-a:1',2'-d]pyrazin-5-yl acetate
Antibiotic A 21101-III
Ariotin
L 53185
Lilly 53185
aranotina
aranotine
aranotinum

CHEBI:188552
chebi:188552
HXWOWBFXYUFFKS-UHFFFAOYSA-N 		A 21101-IL
(16-hydroxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.01,14.03,12.04,10.015,21]tetracosa-6,9,17,20-tetraen-5-yl) acetate

kegg.drug:D02974
keggD:D02974
HXWOWBFXYUFFKS-UHFFFAOYSA-N 		Aranotin (USAN/INN)

keggD:M_D02974 		secondary/obsolete/fantasy identifier