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CHEBI:216314 - Phenalinolactone D

ChEBI IDCHEBI:216314
ChEBI NamePhenalinolactone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H53NO11
Net Charge0
Average Mass699.838
Monoisotopic Mass699.36186
SMILESCO[C@@H]1CC[C@H](OCC2(COC(=O)c3ccc(C)n3)[C@H]3CC[C@@]4(C)[C@H](C5=C(O)C(=O)OC5O)C(C)=CC[C@H]4[C@]3(C)CC[C@H]2OC(C)=O)O[C@H]1C
InChIInChI=1S/C38H53NO11/c1-20-8-12-26-36(5)17-15-28(49-23(4)40)38(19-47-33(42)24-10-9-21(2)39-24,18-46-29-13-11-25(45-7)22(3)48-29)27(36)14-16-37(26,6)31(20)30-32(41)35(44)50-34(30)43/h8-10,22,25-29,31,34,39,41,43H,11-19H2,1-7H3/t22-,25+,26-,27-,28+,29+,31-,34?,36-,37+,38?/m0/s1
InChIKeyZIOIITMDKMWZOA-LHIKJTPQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21179045)
ChEBI Ontology
Outgoing Relation(s)
Phenalinolactone D (CHEBI:216314) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
[(2R,4aS,4bS,8R,8aR,10aS)-2-acetyloxy-8-(2,4-dihydroxy-5-oxo-2H-uran-3-yl)-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 5-methyl-1H-pyrrole-2-carboxylate
Manual XrefsDatabases
78441539ChemSpider