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

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furcatin

	Properties	Image
MNX_ID	MNXM54036
reference	chebi:5196
formula	C₂₀H₂₈O₁₀
global charge	0
mol weight	428.434
InChIKey	HLTAEJNADMCLOV-LTRJMQNCSA-N
InChI	InChI=1S/C20H28O10/c1-2-3-11-4-6-12(7-5-11)29-18-16(24)15(23)14(22)13(30-18)8-27-19-17(25)20(26,9-21)10-28-19/h2,4-7,13-19,21-26H,1,3,8-10H2/t13-,14-,15+,16-,17+,18-,19-,20-/m1/s1
SMILES	C=CCC1=CC=C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1

MNX internals

InChI (mnx)	InChI=1/C20H28O10/c1-2-3-11-4-6-12(7-5-11)29-18-16(24)15(23)14(22)13(30-18)8-27-19-17(25)20(26,9-21)10-28-19/h2,4-7,13-19,21-26H,1,3,8-10H2/t13-,14-,15+,16-,17+,18-,19-,20-/m1/s1
SMILES (mnx)	[CH2:1]=[CH:2][CH2:3][C:11]1=[CH:5][CH:7]=[C:12]([O:29][C@H:18]2[C@H:16]([OH:24])[C@@H:15]([OH:23])[C@H:14]([OH:22])[C@@H:13]([CH2:8][O:27][C@H:19]3[C@H:17]([OH:25])[C@:20]([CH2:9][OH:21])([OH:26])[CH2:10][O:28]3)[O:30]2)[CH:6]=[CH:4]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:5196 chebi:5196 HLTAEJNADMCLOV-LTRJMQNCSA-N	furcatin 4-(prop-2-en-1-yl)phenyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-beta-D-glucopyranoside beta-D-apiofuranosyl-(1->6)-D-glucopyranosyl-4-(prop-2-en-1-yl)phenyl
kegg.compound:C10458 keggC:C10458 HLTAEJNADMCLOV-LTRJMQNCSA-N	Furcatin
seed.compound:cpd07344 seedM:cpd07344 HLTAEJNADMCLOV-LTRJMQNCSA-N	Furcatin (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(4-prop-2-enylphenoxy)oxane-3,4,5-triol furcatin p-allylphenyl 6-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
metacyc.compound:CPD-14703 metacycM:CPD-14703 HLTAEJNADMCLOV-LTRJMQNCSA-N	furcatin (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(4-prop-2-enylphenoxy)oxane-3,4,5-triol beta-D-apiofuranosyl-(1->6)-D-glucopyranosyl-4-(prop-2-en-1-yl)phenyl p-allylphenyl 6-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
keggC:M_C10458 seedM:M_cpd07344	secondary/obsolete/fantasy identifier