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5-Deoxodihydrokalafungin

MNXM163686 is deprecated and here replaced by MNXM730788
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM730788 Image of MNXM730788
referencechebi:31131
formulaC16H16O5
global charge0
mol weight288.299
InChIKeyBGCANOPAKSHGIV-KCJUWKMLSA-N
InChIInChI=1S/C16H16O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-4,8,11,17H,5-7H2,1H3,(H,18,19)/t8-,11+/m1/s1
SMILESC[C@H]1O[C@H](CC(=O)O)CC2=C1C(=O)C1=C(C=CC=C1O)C2
MNX internals
InChI (mnx)InChI=1/C16H16O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-4,8,11,17H,5-7H2,1H3,(H,18,19)/t8-,11+/m1/s1 Image of MNXM730788
SMILES (mnx)[CH3:1][C@@H:8]1[C:14]2=[C:10]([CH2:5][C:9]3=[C:15]([C:12]([OH:17])=[CH:4][CH:2]=[CH:3]3)[C:16]2=[O:20])[CH2:6][C@@H:11]([CH2:7][C:13](=[O:18])[OH:19])[O:21]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:31131
chebi:31131
BGCANOPAKSHGIV-KCJUWKMLSA-N 		5-Deoxodihydrokalafungin
DDHK

kegg.compound:C12435
keggC:C12435
BGCANOPAKSHGIV-KCJUWKMLSA-N 		6-Deoxydihydrokalafungin
DDHK

keggC:M_C12435 		secondary/obsolete/fantasy identifier