EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:221649 - Epemicin B

ChEBI IDCHEBI:221649
ChEBI NameEpemicin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC70H122N2O27
Net Charge0
Average Mass1423.733
Monoisotopic Mass1422.82350
SMILESCC[C@@H](C=C[C@@H]1CC=C(C)[C@@H](O)[C@@H](C)[C@H](O)C[C@@H](O)[C@@H](C)[C@H](O)C[C@@H]2C[C@H](O)[C@@H](O)[C@](O)(C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O[C@H]4C[C@@H](N)[C@H](O)[C@@H](C)O4)[C@H]3O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)C=C[C@@H](O)C[C@@H](O)[C@@H](C)C=CC(=O)O1)O2)[C@@H](O)[C@@H](C)[C@H](CC)O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1
InChIInChI=1S/C70H122N2O27/c1-14-41(57(81)36(8)51(15-2)95-55-30-69(13,72)65(87)40(12)91-55)19-22-43-21-17-33(5)56(80)35(7)49(77)28-48(76)34(6)47(75)25-44-26-50(78)66(88)70(89,99-44)29-52(32(4)16-20-42(73)24-46(74)31(3)18-23-53(79)94-43)96-68-64(98-67-62(86)61(85)59(83)38(10)92-67)63(60(84)39(11)93-68)97-54-27-45(71)58(82)37(9)90-54/h16-20,22-23,31-32,34-52,54-68,73-78,80-89H,14-15,21,24-30,71-72H2,1-13H3/t31-,32-,34-,35-,36-,37+,38+,39+,40-,41-,42+,43-,44+,45+,46+,47+,48+,49+,50-,51-,52+,54-,55-,56+,57-,58+,59+,60+,61-,62+,63-,64+,65+,66+,67-,68-,69-,70-/m0/s1
InChIKeyVNZWETIARFTEAV-GZNXHPRQSA-N
Species of MetaboliteComponentSourceComments
Kutzneriaspecies CA-103260 (ncbitaxon:2802641) - PubMed (34279911)
ChEBI Ontology
Outgoing Relation(s)
Epemicin B (CHEBI:221649) is a O-acyl carbohydrate (CHEBI:52782)