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CHEBI:169861 - Lansioside B

ChEBI IDCHEBI:169861
ChEBI NameLansioside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H58O8
Net Charge0
Average Mass618.852
Monoisotopic Mass618.41317
SMILESC=C(C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(OC4OC(CO)C(O)C(O)C4O)CCC23C)C1(C)CCC(=O)O
InChIInChI=1S/C36H58O8/c1-20(2)23-11-9-21(3)24(35(23,7)18-16-29(38)39)12-13-25-22(4)10-14-27-34(5,6)28(15-17-36(25,27)8)44-33-32(42)31(41)30(40)26(19-37)43-33/h9,23-28,30-33,37,40-42H,1,4,10-19H2,2-3,5-8H3,(H,38,39)
InChIKeyLESZSAQXPRFCAF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Lansioside B (CHEBI:169861) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
3-[2-[2-[5,5,8a-trimethyl-2-methylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-1,3-dimethyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid
Manual XrefsDatabases
HMDB0035102HMDB