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

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JWH-133

	Properties	Image
MNX_ID	MNXM1112514
reference	chebi:146243
formula	C₂₂H₃₂O
global charge	0
mol weight	312.497
InChIKey	YSBFLLZNALVODA-RBUKOAKNSA-N
InChI	InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
SMILES	CCCC(C)(C)C1=CC=C2C(=C1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21

MNX internals

InChI (mnx)	InChI=1/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
SMILES (mnx)	[CH3:1][CH2:7][CH2:12][C:21]([CH3:3])([CH3:4])[C:16]1=[CH:9][CH:10]=[C:17]2[C@@H:18]3[CH2:13][C:15]([CH3:2])=[CH:8][CH2:11][C@H:19]3[C:22]([CH3:5])([CH3:6])[O:23][C:20]2=[CH:14]1

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:146243 chebi:146243 YSBFLLZNALVODA-RBUKOAKNSA-N	JWH-133 (6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran (6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene (6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene 1,1-dimethylbutyl-1-deoxy-Delta(9)-THC JW 133 JWH 133 JWH133
hmdb:HMDB0253747 YSBFLLZNALVODA-UHFFFAOYSA-N	(6AR,10AR)-3-(1,1-Dimethylbutyl)-6A,7,10,10A-tetrahydro-6,6,9-trimethyl-6H-dibenzo[B,D]pyran 6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6H,6aH,7H,10H,10aH-benzo[c]isochromene 6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6aH,7H,10H,10aH-benzo[c]isochromene