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

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hinokinin

	Properties	Image
MNX_ID	MNXM56528
reference	chebi:5722
formula	C₂₀H₁₈O₆
global charge	0
mol weight	354.358
InChIKey	DDWGQGZPYDSYEL-LSDHHAIUSA-N
InChI	InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1
SMILES	O=C1OC[C@H](CC2=CC3=C(C=C2)OCO3)[C@H]1CC1=CC2=C(C=C1)OCO2

MNX internals

InChI (mnx)	InChI=1/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1
SMILES (mnx)	[CH:1]1=[CH:3][C:16]2=[C:18]([CH:7]=[C:12]1[CH2:5][C@H:14]1[CH2:9][O:22][C:20](=[O:21])[C@@H:15]1[CH2:6][C:13]1=[CH:8][C:19]3=[C:17]([CH:4]=[CH:2]1)[O:24][CH2:11][O:26]3)[O:25][CH2:10][O:23]2

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:5722 chebi:5722 DDWGQGZPYDSYEL-LSDHHAIUSA-N	hinokinin (-)-hinokinin (3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one (3R-trans)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one Hinokinin
kegg.compound:C10627 keggC:C10627 DDWGQGZPYDSYEL-LSDHHAIUSA-N	Hinokinin
seed.compound:cpd07513 seedM:cpd07513 DDWGQGZPYDSYEL-LSDHHAIUSA-N	Hinokinin (-)-hinokinin (-)-hinoquinin hinokinin hinoquinin
metacyc.compound:CPD-17598 metacycM:CPD-17598 DDWGQGZPYDSYEL-LSDHHAIUSA-N	hinokinin (-)-hinokinin (-)-hinoquinin hinoquinin
hmdb:HMDB0304571 DDWGQGZPYDSYEL-LSDHHAIUSA-N	kaempferol 3-rhamnoside-7-glucoside (-)-Hinokinin (3R,4R)-3,4-Bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one (3R,4R)-3,4-bis[(2H-1,3-benzodioxol-5-yl)methyl]oxolan-2-one (3R-trans)-3,4-Bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one hinokinin
chebi:487491 keggC:M_C10627 seedM:M_cpd07513	secondary/obsolete/fantasy identifier