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CHEBI:201291 - Iso-16-deethylindanomycin

ChEBI IDCHEBI:201291
ChEBI NameIso-16-deethylindanomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H39NO4
Net Charge0
Average Mass465.634
Monoisotopic Mass465.28791
SMILESCC/C(=C\C=C\[C@H]1C=C[C@H]2CCC[C@@H]2[C@H]1C(=O)c1cccn1)[C@@H]1O[C@H]([C@@H](C)C(=O)O)CC[C@H]1C
InChIInChI=1S/C29H39NO4/c1-4-20(28-18(2)13-16-25(34-28)19(3)29(32)33)8-5-10-22-15-14-21-9-6-11-23(21)26(22)27(31)24-12-7-17-30-24/h5,7-8,10,12,14-15,17-19,21-23,25-26,28,30H,4,6,9,11,13,16H2,1-3H3,(H,32,33)/b10-5+,20-8+/t18-,19-,21-,22+,23+,25+,26+,28-/m1/s1
InChIKeyHSZFOQSMGNAIJM-BTBOFAPCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (23639115)
ChEBI Ontology
Outgoing Relation(s)
Iso-16-deethylindanomycin (CHEBI:201291) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(2R)-2-[(2S,5R,6R)-6-[(3E,5E)-6-[(3aS,4R,5R,7aR)-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid
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