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CHEBI:222022 - Unphenelfamycin

ChEBI IDCHEBI:222022
ChEBI NameUnphenelfamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H65NO14
Net Charge0
Average Mass819.986
Monoisotopic Mass819.44051
SMILESC/C=C/C=C/[C@@H]1O[C@@](O)([C@@H](CO[C@@H]2C[C@H](OC)[C@H](O)[C@H](C)O2)C(=O)NC/C=C/C=C(\C)[C@@H](OC)[C@H](C)[C@@H]2C[C@H](O)[C@@H](/C=C/C=C/C=C/C(=O)O)O2)[C@H](O)[C@H](O)C1(C)C
InChIInChI=1S/C43H65NO14/c1-9-10-13-20-34-42(5,6)39(49)40(50)43(52,58-34)29(25-55-36-24-33(53-7)37(48)28(4)56-36)41(51)44-22-17-16-18-26(2)38(54-8)27(3)32-23-30(45)31(57-32)19-14-11-12-15-21-35(46)47/h9-21,27-34,36-40,45,48-50,52H,22-25H2,1-8H3,(H,44,51)(H,46,47)/b10-9+,12-11+,17-16+,19-14+,20-13+,21-15+,26-18+/t27-,28+,29+,30+,31-,32+,33+,34+,36+,37-,38-,39+,40-,43+/m1/s1
InChIKeyDJMVKODMYMBIGE-HFXUVZHZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3192490)
ChEBI Ontology
Outgoing Relation(s)
Unphenelfamycin (CHEBI:222022) is a glycoside (CHEBI:24400)
IUPAC Name 
(2E,4E,6E)-7-[(2R,3S,5S)-3-hydroxy-5-[(2R,3S,4E,6E)-8-[[(2R)-3-[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-2-[(2S,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]propanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid
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