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CHEBI:197075 - 28-Glucosylarjunolate 3-[rhamnosyl-(1->3)-glucuronide]

ChEBI IDCHEBI:197075
ChEBI Name28-Glucosylarjunolate 3-[rhamnosyl-(1->3)-glucuronide]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H76O20
Net Charge0
Average Mass973.116
Monoisotopic Mass972.49299
SMILESCC1OC(OC2C(O)C(OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)CO)OC(C(=O)O)C2O)C(O)C(O)C1O
InChIInChI=1S/C48H76O20/c1-20-27(52)29(54)31(56)39(63-20)65-35-33(58)36(38(60)61)66-41(34(35)59)67-37-23(51)17-44(4)25(45(37,5)19-50)10-11-47(7)26(44)9-8-21-22-16-43(2,3)12-14-48(22,15-13-46(21,47)6)42(62)68-40-32(57)30(55)28(53)24(18-49)64-40/h8,20,22-37,39-41,49-59H,9-19H2,1-7H3,(H,60,61)
InChIKeyHELVNAROXHFAIE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
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)
28-Glucosylarjunolate 3-[rhamnosyl-(1->3)-glucuronide] (CHEBI:197075) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
3,5-dihydroxy-6-[[2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0033580HMDB