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CHEBI:217692 - Oblongolide L

ChEBI IDCHEBI:217692
ChEBI NameOblongolide L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILESCCCCO[C@@]1(C(C)=O)OC[C@H]2C=C[C@H]3C[C@@H](COC(C)=O)CC[C@@H]3[C@]21C
InChIInChI=1S/C22H34O5/c1-5-6-11-26-22(15(2)23)21(4)19(14-27-22)9-8-18-12-17(7-10-20(18)21)13-25-16(3)24/h8-9,17-20H,5-7,10-14H2,1-4H3/t17-,18-,19+,20-,21-,22-/m0/s1
InChIKeyAPCAFEWMEZLZJS-GVUKCBQMSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - DOI (10.1002/ejoc.200500290)
ChEBI Ontology
Outgoing Relation(s)
Oblongolide L (CHEBI:217692) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(1R,3aS,5aR,7S,9aS,9bR)-1-acetyl-1-butoxy-9b-methyl-3,3a,5a,6,7,8,9,9a-octahydrobenzo[e][2]benzouran-7-yl]methyl acetate
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9720125ChemSpider