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

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Pterosin F

	Properties	Image
MNX_ID	MNXM130077
reference	chebi:169882
formula	C₁₄H₁₇ClO
global charge	0
mol weight	236.742
InChIKey	DFJCTWMNTSWCRI-UHFFFAOYSA-N
InChI	InChI=1S/C14H17ClO/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9H,4-5,7H2,1-3H3
SMILES	CC1=CC2=C(C(=O)C(C)C2)C(C)=C1CCCl

MNX internals

InChI (mnx)	InChI=1/C14H17ClO/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9H,4-5,7H2,1-3H3/t9?
SMILES (mnx)	[CH3:1][C:8]1=[CH:6][C:11]2=[C:13]([C:10]([CH3:3])=[C:12]1[CH2:4][CH2:5][Cl:15])[C:14](=[O:16])[CH:9]([CH3:2])[CH2:7]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:169882 chebi:169882 DFJCTWMNTSWCRI-UHFFFAOYSA-N	Pterosin F 6-(2-chloroethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
hmdb:HMDB0036606 DFJCTWMNTSWCRI-UHFFFAOYSA-N	Pterosin F 6-(2-Chloroethyl)-2,3-dihydro-2,5,7-trimethyl-1H-inden-1-one, 9ci 6-(2-Chloroethyl)-2,5,7-trimethyl-(-)-1-indanone 6-(2-chloroethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one 6-(2-chloroethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
hmdb:HMDB36606	secondary/obsolete/fantasy identifier