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CHEBI:203393 - 5alpha,8alpha-epidioxy-24(R)-methylcholesta-6,22-dien-3beta-D-glucopyranoside

ChEBI IDCHEBI:203393
ChEBI Name5alpha,8alpha-epidioxy-24(R)-methylcholesta-6,22-dien-3beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H54O8
Net Charge0
Average Mass590.798
Monoisotopic Mass590.38187
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2[C@]34C=C[C@@]5(C[C@@H](OC6OC(CO)C(O)C(O)C6O)CC[C@]5(C)C3CC[C@@]21C)OO4
InChIInChI=1S/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/b8-7+/t20-,21+,22-,23+,24?,25?,26?,27?,28?,29?,30?,31+,32+,33-,34+/m0/s1
InChIKeyCKJZKFPVVUQBMB-AOHVSNAWSA-N
Species of MetaboliteComponentSourceComments
Ophiocordyceps sinensis (ncbitaxon:72228) - DOI (10.1016/s0031-9422(99)00128-4)
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)
5alpha,8alpha-epidioxy-24(R)-methylcholesta-6,22-dien-3beta-D-glucopyranoside (CHEBI:203393) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-[[(1R,5R,6R,10R,13S,15R)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
78445669ChemSpider