MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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Pochonin G

	Properties	Image
MNX_ID	MNXM108101
reference	chebi:66767
formula	C₁₈H₁₇ClO₆
global charge	0
mol weight	364.781
InChIKey	CFVKDYMHTACQOE-KBOAJJQZSA-N
InChI	InChI=1S/C18H17ClO6/c1-8-4-14-15(25-14)6-10-3-2-9(24-10)5-11-16(18(22)23-8)12(20)7-13(21)17(11)19/h2-3,7-8,14-15,20-21H,4-6H2,1H3/t8-,14-,15-/m1/s1
SMILES	C[C@@H]1C[C@H]2O[C@@H]2CC2=CC=C(CC3=C(Cl)C(O)=CC(O)=C3C(=O)O1)O2

MNX internals

InChI (mnx)	InChI=1/C18H17ClO6/c1-8-4-14-15(25-14)6-10-3-2-9(24-10)5-11-16(18(22)23-8)12(20)7-13(21)17(11)19/h2-3,7-8,14-15,20-21H,4-6H2,1H3/t8-,14-,15-/m1/s1
SMILES (mnx)	[CH3:1][C@@H:8]1[CH2:4][C@@H:14]2[C@@H:15]([CH2:6][C:10]3=[CH:3][CH:2]=[C:9]([CH2:5][C:11]4=[C:16]([C:12]([OH:20])=[CH:7][C:13]([OH:21])=[C:17]4[Cl:19])[C:18](=[O:22])[O:23]1)[O:24]3)[O:25]2

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
Identifier	Description
CHEBI:66767 chebi:66767 lipidmaps:LMPK15030072 lipidmapsM:LMPK15030072 CFVKDYMHTACQOE-KBOAJJQZSA-N	Pochonin G