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F390C

PropertiesImage
MNX_IDMNXM105067 Image of MNXM105067
referencechebi:65894
formulaC16H14O7
global charge0
mol weight318.281
InChIKeyPMHCAQUSIVAZPO-WBMJQRKESA-N
InChIInChI=1S/C16H14O7/c1-22-15(21)16-9(3-2-4-12(16)19)14(20)13-10(18)5-8(7-17)6-11(13)23-16/h2-6,12,17-19H,7H2,1H3/t12-,16+/m1/s1
SMILESCOC(=O)[C@]12OC3=CC(CO)=CC(O)=C3C(=O)C1=CC=C[C@H]2O
MNX internals
InChI (mnx)InChI=1/C16H14O7/c1-22-15(21)16-9(3-2-4-12(16)19)14(20)13-10(18)5-8(7-17)6-11(13)23-16/h2-6,12,17-19H,7H2,1H3/t12-,16+/m1/s1 Image of MNXM105067
SMILES (mnx)[CH3:1][O:22][C:15]([C@:16]12[C:9](=[CH:3][CH:2]=[CH:4][C@H:12]1[OH:19])[C:14](=[O:20])[C:13]1=[C:10]([OH:18])[CH:5]=[C:8]([CH2:7][OH:17])[CH:6]=[C:11]1[O:23]2)=[O:21]
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:65894
chebi:65894
PMHCAQUSIVAZPO-WBMJQRKESA-N 		F390C
methyl (4R,4aS)-4,8-dihydroxy-6-(hydroxymethyl)-9-oxo-4,9-dihydro-4aH-xanthene-4a-carboxylate