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CHEBI:222027 - Phenalinolactone A

ChEBI IDCHEBI:222027
ChEBI NamePhenalinolactone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H53NO12
Net Charge0
Average Mass715.837
Monoisotopic Mass715.35678
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)[C@@H](O)C[C@H]2OC(C)=O)O[C@H]1C
InChIInChI=1S/C38H53NO12/c1-19-8-12-25-36(5,31(19)30-32(42)35(45)51-34(30)44)15-14-26-37(25,6)27(41)16-28(50-22(4)40)38(26,18-48-33(43)23-10-9-20(2)39-23)17-47-29-13-11-24(46-7)21(3)49-29/h8-10,21,24-29,31,34,39,41-42,44H,11-18H2,1-7H3/t21-,24+,25+,26-,27-,28+,29+,31-,34?,36+,37-,38?/m0/s1
InChIKeyLULQRLKBANNSOX-AFCHNXSNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21179045)
ChEBI Ontology
Outgoing Relation(s)
Phenalinolactone A (CHEBI:222027) 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 5-methyl-1H-pyrrole-2-carboxylate
Manual XrefsDatabases
78441398ChemSpider