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

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albaflavenone

MNXM1908 is deprecated and here replaced by MNXM732082
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM732082
reference	chebi:51460
formula	C₁₅H₂₂O
global charge	0
mol weight	218.34
InChIKey	SHUZZAXJEJPUGA-CCUNJIBTSA-N
InChI	InChI=1S/C15H22O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11H,5-8H2,1-4H3/t9-,11-,15+/m0/s1
SMILES	CC1=C2C(=O)C[C@H](C)[C@]23CC[C@@H](C3)C1(C)C

MNX internals

InChI (mnx)	InChI=1/C15H22O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11H,5-8H2,1-4H3/t9-,11-,15+/m0/s1
SMILES (mnx)	[CH3:1][C@H:9]1[CH2:7][C:12](=[O:16])[C:13]2=[C:10]([CH3:2])[C:14]([CH3:3])([CH3:4])[C@H:11]3[CH2:5][CH2:6][C@@:15]12[CH2:8]3

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:51460 chebi:51460 SHUZZAXJEJPUGA-CCUNJIBTSA-N	albaflavenone (+)-epi-isozizaen-5-one (1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.0(1,5)]undec-5-en-4-one (3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-1-one
kegg.compound:C17954 keggC:C17954 SHUZZAXJEJPUGA-CCUNJIBTSA-N	Albaflavenone
seed.compound:cpd17940 seedM:cpd17940 SHUZZAXJEJPUGA-CCUNJIBTSA-N	Albaflavenone albaflavenone
metacyc.compound:CPD-9962 metacycM:CPD-9962 SHUZZAXJEJPUGA-CCUNJIBTSA-N	albaflavenone
lipidmaps:LMPR0103700006 lipidmapsM:LMPR0103700006 SHUZZAXJEJPUGA-CCUNJIBTSA-N	albaflavenone (+)-epi-isozizaen-5-one (1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.0(1,5)]undec-5-en-4-one (3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-1-one albaflavenone
keggC:M_C17954 seedM:M_cpd17940	secondary/obsolete/fantasy identifier