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CHEBI:222047 - Phenelfamycin B

ChEBI IDCHEBI:222047
ChEBI NamePhenelfamycin B
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](O)[C@@H](OC(=O)Cc2ccccc2)C1(C)C
InChIInChI=1S/C51H71NO15/c1-9-10-14-25-41-50(5,6)48(66-43(56)28-35-22-15-13-16-23-35)47(58)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
InChIKeyVLBWFLKRBCOSGD-OAMLRDJOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3192490)
ChEBI Ontology
Outgoing Relation(s)
Phenelfamycin B (CHEBI:222047) is a glycoside (CHEBI:24400)
IUPAC Name 
(2Z,4E,6Z)-7-[(2S,3R,5S)-5-[(2R,3R,4E,6Z)-8-[[(2S)-2-[(2S,3S,4S,6S)-2,3-dihydroxy-5,5-dimethyl-6-[(1Z,3E)-penta-1,3-dienyl]-4-(2-phenylacetyl)oxyoxan-2-yl]-3-[(2R,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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