EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169901 - Goshonoside F4

ChEBI IDCHEBI:169901
ChEBI NameGoshonoside F4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H54O12
Net Charge0
Average Mass630.772
Monoisotopic Mass630.36153
SMILESC=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C32H54O12/c1-17(10-13-41-29-27(39)25(37)23(35)20(14-33)43-29)6-8-19-18(2)7-9-22-31(3,11-5-12-32(19,22)4)16-42-30-28(40)26(38)24(36)21(15-34)44-30/h10,19-30,33-40H,2,5-9,11-16H2,1,3-4H3/b17-10-
InChIKeyYQDMUEBOTCUADA-YVLHZVERSA-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)
Goshonoside F4 (CHEBI:169901) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
2-[(Z)-5-[5,8a-dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0038377HMDB