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CHEBI:215817 - NF00659B1

ChEBI IDCHEBI:215817
ChEBI NameNF00659B1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H52O6
Net Charge0
Average Mass580.806
Monoisotopic Mass580.37639
SMILESC=C1CCC2C3(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/C36H52O6/c1-10-22(2)13-11-12-14-31(37)41-29-17-20-36(9)28-16-15-23(3)27(21-26-32(38)24(4)25(5)40-33(26)39)35(28,8)19-18-30(36)42-34(29,6)7/h11-14,22,27-30,38H,3,10,15-21H2,1-2,4-9H3/b13-11+,14-12+
InChIKeyZUXBGHRWQYVZRH-PHEQNACWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (9186556)
ChEBI Ontology
Outgoing Relation(s)
NF00659B1 (CHEBI:215817) 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)-6-methylocta-2,4-dienoate
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78444176ChemSpider