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CHEBI:200592 - NF00659A3

ChEBI IDCHEBI:200592
ChEBI NameNF00659A3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O7
Net Charge0
Average Mass502.648
Monoisotopic Mass502.29305
SMILESC=C1C(O)CC2C3(C)CCC(OC(C)=O)C(C)(C)OC3CCC2(C)C1Cc1c(O)c(C)c(C)oc1=O
InChIInChI=1S/C29H42O7/c1-15-17(3)34-26(33)19(25(15)32)13-20-16(2)21(31)14-22-28(20,7)11-10-24-29(22,8)12-9-23(35-18(4)30)27(5,6)36-24/h20-24,31-32H,2,9-14H2,1,3-8H3
InChIKeyZEEUYIPWOJRMAF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (9186556)
ChEBI Ontology
Outgoing Relation(s)
NF00659A3 (CHEBI:200592) 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] acetate
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78443954ChemSpider