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Icariside F2

PropertiesImage
MNX_IDMNXM97929 Image of MNXM97929
referencechebi:181622
formulaC18H26O10
global charge0
mol weight402.396
InChIKeyNJMQSVWMCODQIP-FQXXIRCGSA-N
InChIInChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1
SMILESOC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1 Image of MNXM97929
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:10]([CH2:6][O:25][C@H:16]2[C@H:14]([OH:22])[C@@H:13]([OH:21])[C@H:12]([OH:20])[C@@H:11]([CH2:7][O:26][C@H:17]3[C@H:15]([OH:23])[C@:18]([CH2:8][OH:19])([OH:24])[CH2:9][O:27]3)[O:28]2)[CH:5]=[CH:3]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
IdentifierDescription

CHEBI:181622
chebi:181622
NJMQSVWMCODQIP-FQXXIRCGSA-N 		Icariside F2
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenylmethoxyoxane-3,4,5-triol
hmdb:HMDB0303056
NJMQSVWMCODQIP-FQXXIRCGSA-N 		Benzyl 6-O-beta-D-apiofuranosyl-beta-D-glucoside
(2R,3R,4S,5S,6R)-2-(benzyloxy)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol
Benzyl 6-O-b-D-apiofuranosyl-b-D-glucoside

seed.compound:cpd31511
seedM:cpd31511
NJMQSVWMCODQIP-FQXXIRCGSA-N 		benzyl 6-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
benzyl acuminose

metacyc.compound:CPD-14739
metacycM:CPD-14739
NJMQSVWMCODQIP-FQXXIRCGSA-N 		benzyl acuminose
benzyl 6-O-beta-D-apiofuranosyl-beta-D-glucopyranoside

seedM:M_cpd31511 		secondary/obsolete/fantasy identifier