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

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ferruginol

	Properties	Image
MNX_ID	MNXM53319
reference	chebi:78274
formula	C₂₀H₃₀O
global charge	0
mol weight	286.459
InChIKey	QXNWVJOHUAQHLM-AZUAARDMSA-N
InChI	InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1
SMILES	CC(C)C1=C(O)C=C2C(=C1)CC[C@H]1C(C)(C)CCC[C@]21C

MNX internals

InChI (mnx)	InChI=1/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1
SMILES (mnx)	[CH3:1][CH:13]([CH3:2])[C:15]1=[C:17]([OH:21])[CH:12]=[C:16]2[C:14](=[CH:11]1)[CH2:7][CH2:8][C@H:18]1[C:19]([CH3:3])([CH3:4])[CH2:9][CH2:6][CH2:10][C@:20]21[CH3:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	21
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78274 chebi:78274 QXNWVJOHUAQHLM-AZUAARDMSA-N	ferruginol 12-hydroxyabieta-8,11,13-triene 8,11,13-abietatrien-12-ol abieta-8,11,13-trien-12-ol
kegg.compound:C09092 keggC:C09092 QXNWVJOHUAQHLM-AZUAARDMSA-N	Ferruginol Abieta-8,11,13-trien-12-ol
seed.compound:cpd05988 seedM:cpd05988 QXNWVJOHUAQHLM-AZUAARDMSA-N	Ferruginol abieta-8,11,13-trien-12-ol ferruginol
metacyc.compound:CPD-16534 metacycM:CPD-16534 QXNWVJOHUAQHLM-AZUAARDMSA-N	ferruginol abieta-8,11,13-trien-12-ol
chebi:5045 keggC:M_C09092 seedM:M_cpd05988	secondary/obsolete/fantasy identifier