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CHEBI:198022 - 4-(Chloromethylene)-1,2,3,4-tetrahydro-8-methylquinoline-6-yl 2-O,4-O-dimethyl-beta-D-xylopyranoside

ChEBI IDCHEBI:198022
ChEBI Name4-(Chloromethylene)-1,2,3,4-tetrahydro-8-methylquinoline-6-yl 2-O,4-O-dimethyl-beta-D-xylopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24ClNO5
Net Charge0
Average Mass369.845
Monoisotopic Mass369.13430
SMILESCO[C@H]1[C@H](Oc2cc(C)c3c(c2)/C(=C/Cl)CCN3)OC[C@@H](OC)[C@@H]1O
InChIInChI=1S/C18H24ClNO5/c1-10-6-12(7-13-11(8-19)4-5-20-15(10)13)25-18-17(23-3)16(21)14(22-2)9-24-18/h6-8,14,16-18,20-21H,4-5,9H2,1-3H3/b11-8+/t14-,16+,17-,18+/m1/s1
InChIKeyYDKCHRURWAZULR-KECAABKUSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (12608852)
ChEBI Ontology
Outgoing Relation(s)
4-(Chloromethylene)-1,2,3,4-tetrahydro-8-methylquinoline-6-yl 2-O,4-O-dimethyl-beta-D-xylopyranoside (CHEBI:198022) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4S,5R)-2-[[(4E)-4-(chloromethylidene)-8-methyl-2,3-dihydro-1H-quinolin-6-yl]oxy]-3,5-dimethoxyoxan-4-ol
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9211207ChemSpider