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

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Faurinone

	Properties	Image
MNX_ID	MNXM125624
reference	hmdb:HMDB0036679
formula	C₁₅H₂₆O
global charge	0
mol weight	222.372
InChIKey	SSCVGFQOFLDIGI-UHFFFAOYSA-N
InChI	InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-13(15)14(12)11(3)16/h10,12-14H,5-9H2,1-4H3
SMILES	CC(=O)C1C(C(C)C)CCC2(C)CCCC12

MNX internals

InChI (mnx)	InChI=1/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-13(15)14(12)11(3)16/h10,12-14H,5-9H2,1-4H3/t12?,13?,14?,15?
SMILES (mnx)	[CH3:1][CH:10]([CH3:2])[CH:12]1[CH2:7][CH2:9][C:15]2([CH3:4])[CH2:8][CH2:5][CH2:6][CH:13]2[CH:14]1[C:11]([CH3:3])=[O:16]

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
hmdb:HMDB0036679 SSCVGFQOFLDIGI-UHFFFAOYSA-N	Faurinone 1-(5-isopropyl-7a-methyl-octahydroinden-4-yl)ethanone 1-[7a-methyl-5-(propan-2-yl)-octahydro-1H-inden-4-yl]ethan-1-one
hmdb:HMDB36679	secondary/obsolete/fantasy identifier