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CHEBI:199701 - N-Demethylsambutoxin

ChEBI IDCHEBI:199701
ChEBI NameN-Demethylsambutoxin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37NO4
Net Charge0
Average Mass439.596
Monoisotopic Mass439.27226
SMILESCC[C@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(-c3ccc(O)cc3)cnc2=O)CC[C@H]1C
InChIInChI=1S/C27H37NO4/c1-6-16(2)13-17(3)14-19(5)26-18(4)7-12-23(32-26)24-25(30)22(15-28-27(24)31)20-8-10-21(29)11-9-20/h8-11,14-18,23,26,29H,6-7,12-13H2,1-5H3,(H2,28,30,31)/b19-14+/t16-,17+,18+,23-,26+/m0/s1
InChIKeyYDGOHTBOOYAVOP-JYCRKZTRSA-N
Species of MetaboliteComponentSourceComments
Fusarium oxysporum (ncbitaxon:5507) - PubMed (16562855)
ChEBI Ontology
Outgoing Relation(s)
N-Demethylsambutoxin (CHEBI:199701) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
3-[(2S,5R,6R)-6-[(E,4R,6S)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-5-(4-hydroxyphenyl)-1H-pyridin-2-one
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