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CHEBI:181065 - (2S,3R,4S,5R)-2-(8,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl)oxyoxane-3,4,5-triol

ChEBI IDCHEBI:181065
ChEBI Name(2S,3R,4S,5R)-2-(8,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl)oxyoxane-3,4,5-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O9
Net Charge0
Average Mass578.743
Monoisotopic Mass578.34548
SMILESCC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C5(C)C4CCC3(C)C1(O)C2C
InChIInChI=1S/C32H50O9/c1-16-7-10-31(39-14-16)17(2)32(37)25(41-31)13-22-20-6-5-18-11-19(33)12-24(30(18,4)21(20)8-9-29(22,32)3)40-28-27(36)26(35)23(34)15-38-28/h5,16-17,19-28,33-37H,6-15H2,1-4H3/t16?,17?,19?,20?,21?,22?,23-,24?,25?,26+,27-,28+,29?,30?,31?,32?/m1/s1
InChIKeyHVNSMSNIQCASPS-KSSYOAMNSA-N
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)
(2S,3R,4S,5R)-2-(8,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl)oxyoxane-3,4,5-triol (CHEBI:181065) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(2S,3R,4S,5R)-2-(8,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl)oxyoxane-3,4,5-triol
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