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

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Leucoside

	Properties	Image
MNX_ID	MNXM738695
reference	chebi:189496
formula	C₂₆H₂₈O₁₅
global charge	0
mol weight	580.495
InChIKey	RXAXTTGJEMODPY-CJNLAGEVSA-N
InChI	InChI=1S/C26H28O15/c27-7-15-18(33)20(35)24(41-25-21(36)17(32)13(31)8-37-25)26(39-15)40-23-19(34)16-12(30)5-11(29)6-14(16)38-22(23)9-1-3-10(28)4-2-9/h1-6,13,15,17-18,20-21,24-33,35-36H,7-8H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1
SMILES	O=C1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O)=C2

MNX internals

InChI (mnx)	InChI=1/C26H28O15/c27-7-15-18(33)20(35)24(41-25-21(36)17(32)13(31)8-37-25)26(39-15)40-23-19(34)16-12(30)5-11(29)6-14(16)38-22(23)9-1-3-10(28)4-2-9/h1-6,13,15,17-18,20-21,24-33,35-36H,7-8H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1
SMILES (mnx)	[CH:1]1=[CH:3][C:10]([OH:28])=[CH:4][CH:2]=[C:9]1[C:22]1=[C:23]([O:40][C@H:26]2[C@H:24]([O:41][C@H:25]3[C@H:21]([OH:36])[C@@H:17]([OH:32])[C@H:13]([OH:31])[CH2:8][O:37]3)[C@@H:20]([OH:35])[C@H:18]([OH:33])[C@@H:15]([CH2:7][OH:27])[O:39]2)[C:19](=[O:34])[C:16]2=[C:12]([OH:30])[CH:5]=[C:11]([OH:29])[CH:6]=[C:14]2[O:38]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:189496 chebi:189496 RXAXTTGJEMODPY-CJNLAGEVSA-N	Leucoside 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
lipidmaps:LMPK12111729 lipidmapsM:LMPK12111729 RXAXTTGJEMODPY-CJNLAGEVSA-N	Leucoside Kaempferol 3-sambubioside