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CHEBI:187569 - (3b,6a,12b,20S,23E)-Dammar-23-ene-3,6,12,20,25-pentol 6,20-diglucoside

Default Structure
ChEBI IDCHEBI:187569
ChEBI Name(3b,6a,12b,20S,23E)-Dammar-23-ene-3,6,12,20,25-pentol 6,20-diglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H72O15
Net Charge0
Average Mass817.023
Monoisotopic Mass816.48712
SMILESCC(C)(O)/C=C/CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C
InChIInChI=1S/C42H72O15/c1-37(2,53)12-9-13-42(8,57-36-33(52)31(50)29(48)24(19-44)56-36)20-10-15-40(6)27(20)21(45)16-25-39(5)14-11-26(46)38(3,4)34(39)22(17-41(25,40)7)54-35-32(51)30(49)28(47)23(18-43)55-35/h9,12,20-36,43-53H,10-11,13-19H2,1-8H3/b12-9+
InChIKeyHMCPMOZTKYWJSJ-FMIVXFBMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(3b,6a,12b,20S,23E)-Dammar-23-ene-3,6,12,20,25-pentol 6,20-diglucoside (CHEBI:187569) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2-[[3,12-dihydroxy-17-[(E)-6-hydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0034668HMDB