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CHEBI:189392 - NF00659B2

ChEBI IDCHEBI:189392
ChEBI NameNF00659B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H54O6
Net Charge0
Average Mass606.844
Monoisotopic Mass606.39204
SMILESC=C1CCC2C3(C)CCC(OC(=O)/C=C/C=C/C=C/C(C)CC)C(C)(C)OC3CCC2(C)C1Cc1c(O)c(C)c(C)oc1=O
InChIInChI=1S/C38H54O6/c1-10-24(2)15-13-11-12-14-16-33(39)43-31-19-22-38(9)30-18-17-25(3)29(23-28-34(40)26(4)27(5)42-35(28)41)37(30,8)21-20-32(38)44-36(31,6)7/h11-16,24,29-32,40H,3,10,17-23H2,1-2,4-9H3/b12-11+,15-13+,16-14+
InChIKeyXLANVXCSOWPNLV-CAGMGGGLSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
NF00659B2 (CHEBI:189392) is a oxacycle (CHEBI:38104)
IUPAC Name 
[8-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylidene-1,2,3,5a,6,7,8,10,11,11a-decahydronaphtho[2,1-b]oxepin-3-yl] (2E,4E,6E)-8-methyldeca-2,4,6-trienoate
Manual XrefsDatabases
78443894ChemSpider