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

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phaseollidin

MNXM3688 is deprecated and here replaced by MNXM734968
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM734968
reference	chebi:17556
formula	C₂₀H₂₀O₄
global charge	0
mol weight	324.376
InChIKey	OFWYIUYVHYPQNX-JXFKEZNVSA-N
InChI	InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1
SMILES	CC(C)=CCC1=C(O)C=CC2=C1O[C@H]1C3=CC=C(O)C=C3OC[C@@H]21

MNX internals

InChI (mnx)	InChI=1/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1
SMILES (mnx)	[CH3:1][C:11]([CH3:2])=[CH:3][CH2:5][C:14]1=[C:17]([OH:22])[CH:8]=[CH:7][C:13]2=[C:19]1[O:24][C@H:20]1[C:15]3=[C:18]([CH:9]=[C:12]([OH:21])[CH:4]=[CH:6]3)[O:23][CH2:10][C@@H:16]21

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17556 chebi:17556 OFWYIUYVHYPQNX-JXFKEZNVSA-N	phaseollidin (-)-Phaseollidin (6aR,11aR)-10-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol Phaseollidin
lipidmaps:LMPK12070011 lipidmapsM:LMPK12070011 OFWYIUYVHYPQNX-JXFKEZNVSA-N	(-)-Phaseollidin
metacyc.compound:CPD-4885 metacycM:CPD-4885 OFWYIUYVHYPQNX-JXFKEZNVSA-N	(-)-phaseollidin phaseollidin
kegg.compound:C05230 keggC:C05230 OFWYIUYVHYPQNX-JXFKEZNVSA-N	Phaseollidin (-)-Phaseollidin
seed.compound:cpd03103 seedM:cpd03103 OFWYIUYVHYPQNX-JXFKEZNVSA-N	Phaseollidin (-)-Phaseollidin (-)-phaseollidin phaseollidin
vmhM:phsdln vmhmetabolite:phsdln OFWYIUYVHYPQNX-JXFKEZNVSA-N	Phaseollidin 15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,14-diol
chebi:14774 chebi:25948 chebi:8044 keggC:M_C05230 seedM:M_cpd03103 vmhM:M_phsdln	secondary/obsolete/fantasy identifier