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CHEBI:206749 - Borophycin

ChEBI IDCHEBI:206749
ChEBI NameBorophycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H68BO14
Net Charge-1
Average Mass831.826
Monoisotopic Mass831.47076
SMILESCC[C@H]1C/C=C\CC[C@H](O)CC(=O)C(C)(C)[C@@H]2CC[C@@H](C)[C@]3(O2)O[B-]24OC(C(=O)O1)[C@@]1(O[C@@H](CC[C@H]1C)C(C)(C)C(=O)C[C@@H](O)CC/C=C\C[C@H](CC)OC(=O)C3O2)O4
InChIInChI=1S/C44H68BO14/c1-9-31-19-15-11-13-17-29(46)25-33(48)42(7,8)36-24-22-28(4)44(55-36)38-40(51)53-32(10-2)20-16-12-14-18-30(47)26-34(49)41(5,6)35-23-21-27(3)43(54-35)37(39(50)52-31)56-45(57-38,58-43)59-44/h11-12,15-16,27-32,35-38,46-47H,9-10,13-14,17-26H2,1-8H3/q-1/b15-11-,16-12-/t27-,28-,29+,30+,31+,32+,35+,36+,37?,38?,43+,44+,45?/m1/s1
InChIKeyBGRNGNLBUCICNR-RJJDCBJOSA-N
Species of MetaboliteComponentSourceComments
Nostoc linckia (ncbitaxon:92942) - DOI (10.1021/jo00091a042)
ChEBI Ontology
Outgoing Relation(s)
Borophycin (CHEBI:206749) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,5S,7Z,11S,15S,18R,19R,26S,28Z,32S,36S,39R)-5,26-diethyl-11,32-dihydroxy-14,14,18,35,35,39-hexamethyl-4,20,22,25,40,41,42,43-octaoxa-21-boranuidahexacyclo[19.18.1.11,36.12,21.115,19.019,23]tritetraconta-7,28-diene-3,13,24,34-tetrone
Manual XrefsDatabases
78443795ChemSpider