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CHEBI:212514 - Berkleasmin A

ChEBI IDCHEBI:212514
ChEBI NameBerkleasmin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O7
Net Charge0
Average Mass520.707
Monoisotopic Mass520.34000
SMILESC=C1CO[C@@]2(O)[C@H]3O[C@]34[C@H](OC(=O)[C@H](C)[C@H](O)/C(C)=C/C(CO)CCCCCC)CC[C@H](C)[C@@]4(C)C[C@@H]12
InChIInChI=1S/C30H48O7/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/h14,20-25,27,31-32,34H,3,7-13,15-17H2,1-2,4-6H3/b18-14+/t20-,21+,22?,23-,24+,25+,27-,28+,29+,30+/m0/s1
InChIKeyKCXXIPPRZXVLRU-MWNLZHEJSA-N
Species of MetaboliteComponentSourceComments
Berkleasmium (ncbitaxon:358867) - DOI (10.1016/j.tet.2009.08.077)
ChEBI Ontology
Outgoing Relation(s)
Berkleasmin A (CHEBI:212514) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(1R,3S,4R,8S,10R,11S,14R)-4-hydroxy-10,11-dimethyl-7-methylidene-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
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