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CHEBI:223499 - Dihydroberkleasmin A

ChEBI IDCHEBI:223499
ChEBI NameDihydroberkleasmin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O7
Net Charge0
Average Mass522.723
Monoisotopic Mass522.35565
SMILESCCCCCCC(/C=C(\C)[C@@H](O)[C@@H](C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C[C@H]3[C@H](C)CO[C@@]3(O)[C@H]3O[C@@]312)CO
InChIInChI=1S/C30H50O7/c1-7-8-9-10-11-22(16-31)14-18(2)25(32)21(5)26(33)36-24-13-12-20(4)28(6)15-23-19(3)17-35-30(23,34)27-29(24,28)37-27/h14,19-25,27,31-32,34H,7-13,15-17H2,1-6H3/b18-14+/t19-,20+,21-,22?,23+,24-,25-,27+,28-,29-,30-/m1/s1
InChIKeyGJDKYLNVBUNHAU-GYTKWAEWSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis photiniae (ncbitaxon:289238) - PubMed (21346691)
ChEBI Ontology
Outgoing Relation(s)
Dihydroberkleasmin A (CHEBI:223499) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(1R,3S,4R,7S,8S,10R,11S,14R)-4-hydroxy-7,10,11-trimethyl-2,5-dioxatetracyclo[8.4.0.01,3.04,8]tetradecan-14-yl] (E,2R,3S)-3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate
Manual XrefsDatabases
78441208ChemSpider