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CHEBI:168483 - Capsianoside V

ChEBI IDCHEBI:168483
ChEBI NameCapsianoside V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O10
Net Charge0
Average Mass514.612
Monoisotopic Mass514.27780
SMILESC=CC(C)(CC/C=C(\CO)CC/C=C(\C)CC(O)/C=C(\C)C(=O)O)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C26H42O10/c1-5-26(4,36-25-23(32)22(31)21(30)20(15-28)35-25)11-7-10-18(14-27)9-6-8-16(2)12-19(29)13-17(3)24(33)34/h5,8,10,13,19-23,25,27-32H,1,6-7,9,11-12,14-15H2,2-4H3,(H,33,34)/b16-8+,17-13+,18-10-
InChIKeyXQQKZIVFXGPJHN-KMRBWUSPSA-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)
Capsianoside V (CHEBI:168483) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2E,6E,10Z)-4-hydroxy-10-(hydroxymethyl)-2,6,14-trimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoic acid
Manual XrefsDatabases
HMDB0030737HMDB