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

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(5S)-albaflavenol

MNXM2580 is deprecated and here replaced by MNXM733102
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM733102
reference	chebi:51480
formula	C₁₅H₂₄O
global charge	0
mol weight	220.356
InChIKey	ZRRTYQUKAJCICD-AVNXNWIJSA-N
InChI	InChI=1S/C15H24O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11-12,16H,5-8H2,1-4H3/t9-,11-,12-,15+/m0/s1
SMILES	CC1=C2[C@@H](O)C[C@H](C)[C@]23CC[C@@H](C3)C1(C)C

MNX internals

InChI (mnx)	InChI=1/C15H24O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11-12,16H,5-8H2,1-4H3/t9-,11-,12-,15+/m0/s1
SMILES (mnx)	[CH3:1][C@H:9]1[CH2:7][C@H:12]([OH: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)	8
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:51480 chebi:51480 ZRRTYQUKAJCICD-AVNXNWIJSA-N	(5S)-albaflavenol (+)-(5S)-epi-isozizaen-5-ol (1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.0(1,5)]undec-5-en-4-ol (1S,3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-1-ol
kegg.compound:C17953 keggC:C17953 ZRRTYQUKAJCICD-AVNXNWIJSA-N	(5S)-Albaflavenol
seed.compound:cpd17939 seedM:cpd17939 ZRRTYQUKAJCICD-AVNXNWIJSA-N	(5S)-Albaflavenol (5S)-albaflavenol
metacyc.compound:CPD-9960 metacycM:CPD-9960 ZRRTYQUKAJCICD-AVNXNWIJSA-N	(5S)-albaflavenol
lipidmaps:LMPR0103700009 lipidmapsM:LMPR0103700009 ZRRTYQUKAJCICD-AVNXNWIJSA-N	(5S)-albaflavenol (+)-(5S)-epi-isozizaen-5-ol (1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.0(1,5)]undec-5-en-4-ol (1S,3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-1-ol (5S)-albaflavenol
keggC:M_C17953 seedM:M_cpd17939	secondary/obsolete/fantasy identifier