Search MNXref
 Feedback

Phaseolic acid

MNXM20406 is deprecated and here replaced by MNXM732330
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732330 Image of MNXM732330
referencechebi:8043
formulaC13H12O8
global charge0
mol weight296.231
InChIKeyPMKQSEYPLQIEAY-YWNRKNDBSA-N
InChIInChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+/t10-/m0/s1
SMILESO=C(O)C[C@H](OC(=O)/C=C/C1=CC(O)=C(O)C=C1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+/t10-/m0/s1 Image of MNXM732330
SMILES (mnx)[CH:1]1=[CH:3][C:8]([OH:14])=[C:9]([OH:15])[CH:5]=[C:7]1/[CH:2]=[CH:4]/[C:12](=[O:18])[O:21][C@@H:10]([CH2:6][C:11](=[O:16])[OH:17])[C:13](=[O:19])[OH:20]
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:8043
chebi:8043
kegg.compound:C10483
keggC:C10483
PMKQSEYPLQIEAY-YWNRKNDBSA-N 		Phaseolic acid

keggC:M_C10483 		secondary/obsolete/fantasy identifier