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

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(2R,3S,4S)-3,4-leucopelargonidin

	Properties	Image
MNX_ID	MNXM2221
reference	chebi:17343
formula	C₁₅H₁₄O₆
global charge	0
mol weight	290.271
InChIKey	FSVMLWOLZHGCQX-SOUVJXGZSA-N
InChI	InChI=1S/C15H14O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13-20H/t13-,14-,15+/m0/s1
SMILES	OC1=CC=C([C@H]2OC3=C(C(O)=CC(O)=C3)[C@H](O)[C@@H]2O)C=C1

MNX internals

InChI (mnx)	InChI=1/C15H14O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13-20H/t13-,14-,15+/m0/s1
SMILES (mnx)	[CH:1]1=[CH:3][C:8]([OH:16])=[CH:4][CH:2]=[C:7]1[C@@H:15]1[C@@H:14]([OH:20])[C@@H:13]([OH:19])[C:12]2=[C:10]([OH:18])[CH:5]=[C:9]([OH:17])[CH:6]=[C:11]2[O:21]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17343 chebi:17343 FSVMLWOLZHGCQX-SOUVJXGZSA-N	(2R,3S,4S)-3,4-leucopelargonidin (+)-leucopelargonidin (2R,3S,4S)-2-(4-hydroxyphenyl)chromane-3,4,5,7-tetrol cis-3,4-Leucopelargonidin cis-3,4-leucopelargonidin
metacyc.compound:LEUCOPELARGONIDIN-CMPD metacycM:LEUCOPELARGONIDIN-CMPD FSVMLWOLZHGCQX-SOUVJXGZSA-N	(2R,3S,4S)-leucopelargonidin cis-3,4-leucopelargonidin
hmdb:HMDB0032322 FSVMLWOLZHGCQX-SOUVJXGZSA-N	Leucopelargonidin (+)-Leucopelargonidin (2R,3S,4S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol (2R,3S,4S)-3,4-Leucopelargonidin (2R,3S,4S)-Leucopelargonidin 3,4,4',5,7-Flavanpentol 3,4-cis-Leucopelargonidine Goratensidin Leucopelargonidine Leucopelargonidol cis-3,4-leucopelargonidin
kegg.compound:C03648 keggC:C03648 vmhM:c34leucplargn vmhmetabolite:c34leucplargn FSVMLWOLZHGCQX-SOUVJXGZSA-N	cis-3,4-Leucopelargonidin
seed.compound:cpd02289 seedM:cpd02289 FSVMLWOLZHGCQX-SOUVJXGZSA-N	cis-3,4-Leucopelargonidin (2R,3S,4S)-leucopelargonidin cis 3,4-leucopelargonidin cis-3,4-leucopelargonidin leucopelargonidin
hmdb:HMDB32322 chebi:10470 chebi:12795 chebi:23287 keggC:M_C03648 seedM:M_cpd02289 vmhM:M_c34leucplargn	secondary/obsolete/fantasy identifier