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CHEBI:217222 - Bisaspochalasin A

Default Structure
ChEBI IDCHEBI:217222
ChEBI NameBisaspochalasin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H68N2O8
Net Charge0
Average Mass801.078
Monoisotopic Mass800.49757
SMILESCC1=C[C@@H]2/C=C(\C)CCCC(=O)[C@]3(O)C[C@@H]4CC(=O)[C@@]56C(=O)N[C@@H](CC(C)C)[C@@H]5[C@H](C)C(C)=C[C@@H]6/C=C(\C)CC[C@@H](O3)[C@H]4OC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
InChIInChI=1S/C48H68N2O8/c1-24(2)16-35-40-30(9)28(7)20-33-19-27(6)14-15-37-42-32(22-39(52)47(33,40)43(53)49-35)23-46(56,58-37)38(51)13-11-12-26(5)18-34-21-29(8)31(10)41-36(17-25(3)4)50-44(54)48(34,41)45(55)57-42/h18-21,24-25,30-37,40-42,56H,11-17,22-23H2,1-10H3,(H,49,53)(H,50,54)/b26-18+,27-19+/t30-,31-,32+,33+,34+,35+,36+,37-,40+,41+,42+,46+,47-,48-/m1/s1
InChIKeyHVEJTZKFSOZUAD-XWGYTNOFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (33001654)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Bisaspochalasin A (CHEBI:217222) has role fungal metabolite (CHEBI:76946)
Bisaspochalasin A (CHEBI:217222) is a cytochalasin (CHEBI:23528)
IUPAC Name 
(1R,2S,5R,8S,9R,10S,13S,14E,20S,22S,25S,28S,29R,30S,33S,34E)-20-hydroxy-10,11,15,30,31,35-hexamethyl-8,28-bis(2-methylpropyl)-3,38-dioxa-7,27-diazaheptacyclo[18.17.1.02,22.05,9.05,13.025,29.025,33]octatriaconta-11,14,31,34-tetraene-4,6,19,24,26-pentone