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

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momilactone A

MNXM2540 is deprecated and here replaced by MNXM733051
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM733051
reference	chebi:49191
formula	C₂₀H₂₆O₃
global charge	0
mol weight	314.425
InChIKey	MPHXYQVSOFGNEN-JGHPTVLTSA-N
InChI	InChI=1S/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3/t13-,14-,16-,18-,19-,20+/m1/s1
SMILES	C=C[C@]1(C)CC[C@@H]2C(=C[C@H]3OC(=O)[C@@]4(C)C(=O)CC[C@@]2(C)[C@@H]34)C1

MNX internals

InChI (mnx)	InChI=1/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3/t13-,14-,16-,18-,19-,20+/m1/s1
SMILES (mnx)	[CH2:1]=[CH:5][C@:18]1([CH3:2])[CH2:8][CH2:6][C@@H:13]2[C:12](=[CH:10][C@@H:14]3[C@@H:16]4[C@:19]2([CH3:3])[CH2:9][CH2:7][C:15](=[O:21])[C@:20]4([CH3:4])[C:17](=[O:22])[O:23]3)[CH2:11]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:49191 chebi:49191 MPHXYQVSOFGNEN-JGHPTVLTSA-N	momilactone A 3-oxo-9beta-pimara-7,15-dien-19,6beta-olide 6beta,18-epoxy-9beta-pimara-7,15-diene-3,18-dione Momilacton A
kegg.compound:C18015 keggC:C18015 MPHXYQVSOFGNEN-JGHPTVLTSA-N	Momilactone A
hmdb:HMDB0036748 MPHXYQVSOFGNEN-JGHPTVLTSA-N	Momilactone A 3-oxo-7,15-Pimaradien-19,6-olide 3-oxo-9beta-Pimara-7,15-dien-19,6beta-olide 5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-7-ene-11,13-dione 6beta,18-Epoxy-9beta-pimara-7,15-diene-3,18-dione Egonol primeveroside Momilacton a
lipidmaps:LMPR0104080002 lipidmapsM:LMPR0104080002 MPHXYQVSOFGNEN-JGHPTVLTSA-N	Momilactone A 3-oxo-9beta-pimara-7,15-dien-19,6beta-olide 6beta,18-epoxy-9beta-pimara-7,15-diene-3,18-dione Momilacton A
seed.compound:cpd17998 seedM:cpd17998 MPHXYQVSOFGNEN-JGHPTVLTSA-N	Momilactone A momilactone A
metacyc.compound:CPD-7092 metacycM:CPD-7092 seed.compound:cpd28882 seedM:cpd28882 MPHXYQVSOFGNEN-JGHPTVLTSA-N	momilactone A
hmdb:HMDB36748 chebi:58789 keggC:M_C18015 seedM:M_cpd17998 seedM:M_cpd28882	secondary/obsolete/fantasy identifier