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alphitonin

PropertiesImage
MNX_IDMNXM102616 Image of MNXM102616
referencechebi:69013
formulaC15H12O7
global charge0
mol weight304.254
InChIKeyVCLACNNZBMRRES-UHFFFAOYSA-N
InChIInChI=1S/C15H12O7/c16-8-4-11(19)13-12(5-8)22-15(21,14(13)20)6-7-1-2-9(17)10(18)3-7/h1-5,16-19,21H,6H2
SMILESO=C1C2=C(O)C=C(O)C=C2OC1(O)CC1=CC=C(O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C15H12O7/c16-8-4-11(19)13-12(5-8)22-15(21,14(13)20)6-7-1-2-9(17)10(18)3-7/h1-5,16-19,21H,6H2/t15? Image of MNXM102616
SMILES (mnx)[CH:1]1=[CH:2][C:9]([OH:17])=[C:10]([OH:18])[CH:3]=[C:7]1[CH2:6][C:15]1([OH:21])[C:14](=[O:20])[C:13]2=[C:11]([OH:19])[CH:4]=[C:8]([OH:16])[CH:5]=[C:12]2[O:22]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

CHEBI:69013
chebi:69013
VCLACNNZBMRRES-UHFFFAOYSA-N 		alphitonin
2-[(3,4-dihydroxyphenyl)methyl]-2,4,6-trihydroxy-1-benzofuran-3(2H)-one

kegg.compound:C22552
keggC:C22552
VCLACNNZBMRRES-UHFFFAOYSA-N 		Alphitonin

lipidmaps:LMPK12130073
lipidmapsM:LMPK12130073
VCLACNNZBMRRES-UHFFFAOYSA-N 		Alphitonin
2-[(3,4-Dihydroxyphenyl)methyl]-2,4,6-trihydroxy-3(2H)-benzofuranone

keggC:M_C22552 		secondary/obsolete/fantasy identifier