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CHEBI:219070 - Kolokoside D

ChEBI IDCHEBI:219070
ChEBI NameKolokoside D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H58O10
Net Charge0
Average Mass650.850
Monoisotopic Mass650.40300
SMILESCC(C)[C@H]1COC(=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)20-16-44-30(43)28-34(6)12-11-18-19(35(34,7)14-24(39)36(20,28)8)9-10-23-32(3,4)29(21(38)13-33(18,23)5)46-31-27(42)26(41)25(40)22(15-37)45-31/h11,17,19-29,31,37-42H,9-10,12-16H2,1-8H3/t19-,20+,21+,22+,23-,24+,25+,26-,27+,28-,29-,31-,33+,34-,35+,36-/m0/s1
InChIKeyRSMJJPJAEKNFLV-LTKLRBQVSA-N
Species of MetaboliteComponentSourceComments
Xylariaspecies (ncbitaxon:1715255) - PubMed (17284074)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Kolokoside D (CHEBI:219070) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(1R,2R,4R,5R,6R,10S,11S,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-8-oxapentacyclo[12.8.0.02,11.05,10.015,20]docos-13-en-9-one
Manual XrefsDatabases
17272572ChemSpider