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CHEBI:203828 - Phenalinolactone B

ChEBI IDCHEBI:203828
ChEBI NamePhenalinolactone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H51NO12
Net Charge0
Average Mass701.810
Monoisotopic Mass701.34113
SMILESCO[C@@H]1CC[C@H](OCC2(COC(=O)c3cccn3)[C@H]3CC[C@@]4(C)[C@H](C5=C(O)C(=O)OC5O)C(C)=CC[C@H]4[C@]3(C)[C@@H](O)C[C@H]2OC(C)=O)O[C@H]1C
InChIInChI=1S/C37H51NO12/c1-19-9-11-24-35(4,30(19)29-31(41)34(44)50-33(29)43)14-13-25-36(24,5)26(40)16-27(49-21(3)39)37(25,18-47-32(42)22-8-7-15-38-22)17-46-28-12-10-23(45-6)20(2)48-28/h7-9,15,20,23-28,30,33,38,40-41,43H,10-14,16-18H2,1-6H3/t20-,23+,24+,25-,26-,27+,28+,30-,33?,35+,36-,37?/m0/s1
InChIKeyDBDCCWMIZZISRF-IFMDPMIPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21179045)
ChEBI Ontology
Outgoing Relation(s)
Phenalinolactone B (CHEBI:203828) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
[(2R,4S,4aS,4bR,8R,8aR,10aS)-2-acetyloxy-8-(2,4-dihydroxy-5-oxo-2H-uran-3-yl)-4-hydroxy-1-[[(2R,5R,6S)-5-methoxy-6-methyloxan-2-yl]oxymethyl]-4a,7,8a-trimethyl-3,4,4b,5,8,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl 1H-pyrrole-2-carboxylate
Manual XrefsDatabases
78440971ChemSpider