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Pratenol B

PropertiesImage
MNX_IDMNXM129909 Image of MNXM129909
referencehmdb:HMDB0040631
formulaC15H12O7
global charge0
mol weight304.254
InChIKeyWKBLWDNPQQYILN-VZUCSPMQSA-N
InChIInChI=1S/C15H12O7/c16-10-2-1-8-3-9(7-22-13(8)4-10)11(5-14(18)19)12(17)6-15(20)21/h1-5,16H,6-7H2,(H,18,19)(H,20,21)/b11-5+
SMILESO=C(O)/C=C(/C(=O)CC(=O)O)C1=CC2=C(C=C(O)C=C2)OC1
MNX internals
InChI (mnx)InChI=1/C15H12O7/c16-10-2-1-8-3-9(7-22-13(8)4-10)11(5-14(18)19)12(17)6-15(20)21/h1-5,16H,6-7H2,(H,18,19)(H,20,21)/b11-5+ Image of MNXM129909
SMILES (mnx)[CH:1]1=[CH:2][C:10]([OH:16])=[CH:4][C:13]2=[C:8]1[CH:3]=[C:9](/[C:11](=[CH:5]\[C:14](=[O:18])[OH:19])[C:12]([CH2:6][C:15](=[O:20])[OH:21])=[O:17])[CH2:7][O:22]2
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
hmdb:HMDB0040631
WKBLWDNPQQYILN-VZUCSPMQSA-N 		Pratenol B
(2E)-3-(7-Hydroxy-2H-chromen-3-yl)-4-oxohex-2-enedioate
(2E)-3-(7-hydroxy-2H-chromen-3-yl)-4-oxohex-2-enedioic acid

hmdb:HMDB40631 		secondary/obsolete/fantasy identifier