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AS-186b

PropertiesImage
MNX_IDMNXM102848 Image of MNXM102848
referencechebi:65444
formulaC23H26O7
global charge0
mol weight414.454
InChIKeyNUYFKDBCHFKOBT-IBGZPJMESA-N
InChIInChI=1S/C23H26O7/c1-12(2)8-19(29-14(4)24)16-6-7-18-20(22(16)27-5)23(26)28-11-15-9-13(3)10-17(25)21(15)30-18/h6-7,9-10,12,19,25H,8,11H2,1-5H3/t19-/m0/s1
SMILESCOC1=C([C@H](CC(C)C)OC(C)=O)C=CC2=C1C(=O)OCC1=CC(C)=CC(O)=C1O2
MNX internals
InChI (mnx)InChI=1/C23H26O7/c1-12(2)8-19(29-14(4)24)16-6-7-18-20(22(16)27-5)23(26)28-11-15-9-13(3)10-17(25)21(15)30-18/h6-7,9-10,12,19,25H,8,11H2,1-5H3/t19-/m0/s1 Image of MNXM102848
SMILES (mnx)[CH3:1][CH:12]([CH3:2])[CH2:8][C@@H:19]([C:16]1=[C:22]([O:27][CH3:5])[C:20]2=[C:18]([CH:7]=[CH:6]1)[O:30][C:21]1=[C:15]([CH:9]=[C:13]([CH3:3])[CH:10]=[C:17]1[OH:25])[CH2:11][O:28][C:23]2=[O:26])[O:29][C:14]([CH3:4])=[O:24]
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:65444
chebi:65444
NUYFKDBCHFKOBT-IBGZPJMESA-N 		AS-186b
(1S)-1-(11-hydroxy-4-methoxy-9-methyl-5-oxo-5H,7H-dibenzo[b,g][1,5]dioxocin-3-yl)-3-methylbutyl acetate
1'-O-acetylpenicillide
Purpactin A
vermixocin B