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CHEBI:204143 - Phenalinolactone C

ChEBI IDCHEBI:204143
ChEBI NamePhenalinolactone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC39H55NO13
Net Charge0
Average Mass745.863
Monoisotopic Mass745.36734
SMILESCOCc1ccc(C(=O)OCC2(CO[C@H]3CC[C@@H](OC)[C@H](C)O3)[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)n1
InChIInChI=1S/C39H55NO13/c1-20-8-12-26-37(4,32(20)31-33(43)36(46)53-35(31)45)15-14-27-38(26,5)28(42)16-29(52-22(3)41)39(27,18-49-30-13-11-25(48-7)21(2)51-30)19-50-34(44)24-10-9-23(40-24)17-47-6/h8-10,21,25-30,32,35,40,42-43,45H,11-19H2,1-7H3/t21-,25+,26+,27-,28-,29+,30+,32-,35?,37+,38-,39?/m0/s1
InChIKeySHKVUNNZVXNHSR-GSLBMCBDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21179045)
ChEBI Ontology
Outgoing Relation(s)
Phenalinolactone C (CHEBI:204143) 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-(methoxymethyl)-1H-pyrrole-2-carboxylate
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78440979ChemSpider