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CHEBI:214471 - Kolokoside C

ChEBI IDCHEBI:214471
ChEBI NameKolokoside C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H58O10
Net Charge0
Average Mass650.850
Monoisotopic Mass650.40300
SMILESCC(C)[C@H]1CC(=O)O[C@@H]2[C@]1(C)[C@H](O)C[C@]1(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)C3=CC[C@@]21C
InChIInChI=1S/C36H58O10/c1-17(2)20-13-25(40)45-31-34(6)12-11-18-19(35(34,7)15-24(39)36(20,31)8)9-10-23-32(3,4)29(21(38)14-33(18,23)5)46-30-28(43)27(42)26(41)22(16-37)44-30/h11,17,19-24,26-31,37-39,41-43H,9-10,12-16H2,1-8H3/t19-,20+,21+,22+,23-,24+,26+,27-,28+,29-,30-,31-,33+,34-,35+,36-/m0/s1
InChIKeyLZBTXWQJIPJEOU-MLIRQCMJSA-N
Species of MetaboliteComponentSourceComments
Xylariaspecies (ncbitaxon:1715255) - PubMed (17284074)
ChEBI Ontology
Outgoing Relation(s)
Kolokoside C (CHEBI:214471) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(1R,2R,4R,5S,6R,10S,11R,15S,17R,18R,20R)-4,17-dihydroxy-2,5,11,15,19,19-hexamethyl-6-propan-2-yl-18-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-oxapentacyclo[12.8.0.02,11.05,10.015,20]docos-13-en-8-one
Manual XrefsDatabases
17272455ChemSpider