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CHEBI:184883 - 10-{[4,5-dihydroxy-3-(sulfooxy)oxan-2-yl]oxy}-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Default Structure
ChEBI IDCHEBI:184883
ChEBI Name10-{[4,5-dihydroxy-3-(sulfooxy)oxan-2-yl]oxy}-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O11S
Net Charge0
Average Mass684.889
Monoisotopic Mass684.35433
SMILESCC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1(C)O
InChIInChI=1S/C35H56O11S/c1-19-10-15-35(29(38)39)17-16-32(5)20(27(35)34(19,7)40)8-9-23-31(4)13-12-24(30(2,3)22(31)11-14-33(23,32)6)45-28-26(46-47(41,42)43)25(37)21(36)18-44-28/h8,19,21-28,36-37,40H,9-18H2,1-7H3,(H,38,39)(H,41,42,43)
InChIKeyBCDNFFMNWAXDNR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
10-{[4,5-dihydroxy-3-(sulfooxy)oxan-2-yl]oxy}-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid (CHEBI:184883) is a triterpenoid (CHEBI:36615)
IUPAC Name 
10-(4,5-dihydroxy-3-sulooxyoxan-2-yl)oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid