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

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Ginsenol

	Properties	Image
MNX_ID	MNXM126054
reference	hmdb:HMDB0039744
formula	C₁₅H₂₆O
global charge	0
mol weight	222.372
InChIKey	QOXUIQMPPDIDGM-UHFFFAOYSA-N
InChI	InChI=1S/C15H26O/c1-12(2)10-15(16)13(3)7-5-8-14(15,4)11(12)6-9-13/h11,16H,5-10H2,1-4H3
SMILES	CC1(C)CC2(O)C3(C)CCCC2(C)C1CC3

MNX internals

InChI (mnx)	InChI=1/C15H26O/c1-12(2)10-15(16)13(3)7-5-8-14(15,4)11(12)6-9-13/h11,16H,5-10H2,1-4H3/t11?,13?,14?,15?
SMILES (mnx)	[CH3:1][C:12]1([CH3:2])[CH2:10][C:15]2([OH:16])[C:13]3([CH3:3])[CH2:7][CH2:5][CH2:8][C:14]2([CH3:4])[CH:11]1[CH2:6][CH2:9]3

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:HMDB0039744 QOXUIQMPPDIDGM-UHFFFAOYSA-N	Ginsenol 1,5,5,8-tetramethyltricyclo[5.4.0.0⁴,⁸]undecan-7-ol Octahydro-2,2,4,7a-tetramethyl-1,4-ethano-3ah-inden-3a-ol, 9ci
hmdb:HMDB39744	secondary/obsolete/fantasy identifier