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stipitaldehyde

MNXM165164 is deprecated and here replaced by MNXM1368604
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368604 Image of MNXM1368604
referencemetacycM:CPD-18148
formulaC9H8O4
global charge0
mol weight180.159
InChIKeyKBVWPCXFPMMRFY-UHFFFAOYSA-N
InChIInChI=1S/C9H8O4/c1-5-2-8(12)9(13)3-7(11)6(5)4-10/h2-4,11H,1H3,(H,12,13)
SMILESCC1=C(C=O)C(O)=CC(=O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C9H8O4/c1-5-2-8(12)9(13)3-7(11)6(5)4-10/h2-4,11H,1H3,(H,12,13) Image of MNXM1368604
SMILES (mnx)[CH3:1][C:5]1=[C:6]([CH:4]=[O:10])[C:7]([OH:11])=[CH:3][C:9](=[O:13])[C:8]([OH:12])=[CH:2]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-18148
metacycM:CPD-18148
KBVWPCXFPMMRFY-UHFFFAOYSA-N 		stipitaldehyde
4,7-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carbaldehyde