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CHEBI:198749 - NF00659A1

ChEBI IDCHEBI:198749
ChEBI NameNF00659A1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H52O7
Net Charge0
Average Mass596.805
Monoisotopic Mass596.37130
SMILESC=C1C(O)CC2C3(C)CCC(OC(=O)/C=C/C=C/C(C)CC)C(C)(C)OC3CCC2(C)C1Cc1c(O)c(C)c(C)oc1=O
InChIInChI=1S/C36H52O7/c1-10-21(2)13-11-12-14-31(38)42-29-15-18-36(9)28-20-27(37)23(4)26(19-25-32(39)22(3)24(5)41-33(25)40)35(28,8)17-16-30(36)43-34(29,6)7/h11-14,21,26-30,37,39H,4,10,15-20H2,1-3,5-9H3/b13-11+,14-12+
InChIKeyGLJUDWCQRLSFDX-PHEQNACWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (9186556)
ChEBI Ontology
Outgoing Relation(s)
NF00659A1 (CHEBI:198749) is a oxacycle (CHEBI:38104)
IUPAC Name 
[10-hydroxy-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)-6-methylocta-2,4-dienoate
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