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

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epi-cedrol

	Properties	Image
MNX_ID	MNXM5150
reference	chebi:52226
formula	C₁₅H₂₆O
global charge	0
mol weight	222.372
InChIKey	SVURIXNDRWRAFU-MIBAYGRRSA-N
InChI	InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15+/m1/s1
SMILES	C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@]3(C)O

MNX internals

InChI (mnx)	InChI=1/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15+/m1/s1
SMILES (mnx)	[CH3:1][C@@H:10]1[CH2:5][CH2:6][C@H:11]2[C:13]([CH3:2])([CH3:3])[C@H:12]3[CH2:9][C@@:15]12[CH2:8][CH2:7][C@:14]3([CH3:4])[OH:16]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:52226 chebi:52226 SVURIXNDRWRAFU-MIBAYGRRSA-N	epi-cedrol (-)-epicedrol (3R,3aS,6S,7R,8aS)-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulen-6-ol 8-epi-cedrol 8-epicedrol cedran-8-ol
CHEBI:81598 chebi:81598 kegg.compound:C18245 keggC:C18245 SVURIXNDRWRAFU-SUWDNJBVSA-N	8-epi-Cedrol
seed.compound:cpd19511 seedM:cpd19511 SVURIXNDRWRAFU-SUWDNJBVSA-N	8-epi-Cedrol (-)-epicedrol 8-epi-cedrol
metacyc.compound:CPD-10756 metacycM:CPD-10756 SVURIXNDRWRAFU-SUWDNJBVSA-N	8-epi-cedrol (-)-epicedrol
lipidmaps:LMPR0103690005 lipidmapsM:LMPR0103690005 SVURIXNDRWRAFU-MIBAYGRRSA-N	epi-cedrol (3R,3aS,6S,7R,8aS)-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulen-6-ol 8-epicedrol cedran-8-ol
keggC:M_C18245 seedM:M_cpd19511	secondary/obsolete/fantasy identifier