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Crombenin

PropertiesImage
MNX_IDMNXM47808 Image of MNXM47808
referencechebi:196356
formulaC16H12O8
global charge0
mol weight332.264
InChIKeyAZXDUXHNBXWISJ-UHFFFAOYSA-N
InChIInChI=1S/C16H12O8/c17-7-2-11(20)13-12(3-7)24-16(15(13)22)14(21)8-4-10(19)9(18)1-6(8)5-23-16/h1-4,14,17-21H,5H2
SMILESO=C1C2=C(C=C(O)C=C2O)OC12OCC1=C(C=C(O)C(O)=C1)C2O
MNX internals
InChI (mnx)InChI=1/C16H12O8/c17-7-2-11(20)13-12(3-7)24-16(15(13)22)14(21)8-4-10(19)9(18)1-6(8)5-23-16/h1-4,14,17-21H,5H2/t14?,16? Image of MNXM47808
SMILES (mnx)[CH:1]1=[C:6]2[CH2:5][O:23][C:16]3([CH:14]([OH:21])[C:8]2=[CH:4][C:10]([OH:19])=[C:9]1[OH:18])[C:15](=[O:22])[C:13]1=[C:11]([OH:20])[CH:2]=[C:7]([OH:17])[CH:3]=[C:12]1[O:24]3
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:196356
chebi:196356
AZXDUXHNBXWISJ-UHFFFAOYSA-N 		Crombenin
4,4',6,6',7-pentahydroxyspiro[1,4-dihydroisochromene-3,2'-1-benzouran]-3'-one

lipidmaps:LMPK12130077
lipidmapsM:LMPK12130077
AZXDUXHNBXWISJ-UHFFFAOYSA-N 		Crombenin