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CHEBI:222054 - Phenelfamycin A

ChEBI IDCHEBI:222054
ChEBI NamePhenelfamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H71NO15
Net Charge0
Average Mass938.121
Monoisotopic Mass937.48237
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](OC(=O)Cc2ccccc2)[C@@H](O)C1(C)C
InChIInChI=1S/C51H71NO15/c1-9-10-14-25-41-50(5,6)47(58)48(66-43(56)28-35-22-15-13-16-23-35)51(60,67-41)36(31-63-44-30-40(61-7)45(57)34(4)64-44)49(59)52-27-20-19-21-32(2)46(62-8)33(3)39-29-37(53)38(65-39)24-17-11-12-18-26-42(54)55/h9-26,33-34,36-41,44-48,53,57-58,60H,27-31H2,1-8H3,(H,52,59)(H,54,55)/b10-9-,12-11-,20-19+,24-17-,25-14+,26-18+,32-21+/t33-,34-,36-,37-,38+,39+,40-,41-,44+,45+,46-,47-,48-,51+/m1/s1
InChIKeyDVKFMCYYYHARAG-IIFOCYPZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3192490)
ChEBI Ontology
Outgoing Relation(s)
Phenelfamycin A (CHEBI:222054) is a glycoside (CHEBI:24400)
IUPAC Name 
(2E,4Z,6Z)-7-[(2S,3R,5S)-5-[(2R,3S,4E,6E)-8-[[(2S)-2-[(2S,3R,4S,6R)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]-3-(2-phenylacetyl)oxyoxan-2-yl]-3-[(2S,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid
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