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CHEBI:222605 - (4E,8E,12E)-4,6,8,10,12,14-hexamethyl-7,11-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexadeca-4,8,12-trien-3-one

ChEBI IDCHEBI:222605
ChEBI Name(4E,8E,12E)-4,6,8,10,12,14-hexamethyl-7,11-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexadeca-4,8,12-trien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H58O13
Net Charge0
Average Mass674.825
Monoisotopic Mass674.38774
SMILESCCC(=O)/C(C)=C/C(C)C(OC1OC(CO)C(O)C(O)C1O)/C(C)=C/C(C)C(OC1OC(CO)C(O)C(O)C1O)/C(C)=C/C(C)CC
InChIInChI=1S/C34H58O13/c1-9-16(3)11-18(5)31(46-33-29(42)27(40)25(38)23(14-35)44-33)20(7)13-21(8)32(19(6)12-17(4)22(37)10-2)47-34-30(43)28(41)26(39)24(15-36)45-34/h11-13,16,19-20,23-36,38-43H,9-10,14-15H2,1-8H3/b17-12+,18-11+,21-13+
InChIKeyIIRNCNSOKWSLBX-BZZXCOHFSA-N
Species of MetaboliteComponentSourceComments
Coronophora gregaria (ncbitaxon:714403) - PubMed (14513909)
ChEBI Ontology
Outgoing Relation(s)
(4E,8E,12E)-4,6,8,10,12,14-hexamethyl-7,11-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexadeca-4,8,12-trien-3-one (CHEBI:222605) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(4E,8E,12E)-4,6,8,10,12,14-hexamethyl-7,11-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexadeca-4,8,12-trien-3-one
Manual XrefsDatabases
78444338ChemSpider