EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:758470 - e-7130

Default Structure
ChEBI IDCHEBI:758470
ChEBI Namee-7130
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC58H83NO17
Net Charge0
Average Mass1066.292
Monoisotopic Mass1065.56610
SMILES[H][C@@]12O[C@@]3([H])CC[C@@H]4CC(=O)O[C@H]5[C@H](C[C@H]6O[C@@H](CC[C@@H]7O[C@@H](CC[C@@]89C[C@]([H])(O[C@H]1[C@@H](O8)[C@@]3([H])O4)[C@@H]2O9)CC7=C)C[C@@H](C)C6=C)O[C@@]1([H])C[C@@]2([H])O[C@]3(C[C@@]2([H])O[C@@]1([H])[C@@H]5C)C[C@]1([H])O[C@]2(C[C@H](C)[C@]4([H])O[C@H](CN)[C@H](O)C[C@]4([H])O2)C[C@H](C)[C@]1([H])O3
InChIInChI=1S/C58H83NO17/c1-25-13-31-7-9-35-26(2)14-33(62-35)11-12-56-22-43-52(75-56)53-54(68-43)55(76-56)51-36(66-53)10-8-32(64-51)15-46(61)70-50-30(6)49-40(65-39(50)17-37(63-31)29(25)5)18-38-42(67-49)21-58(71-38)23-44-48(74-58)28(4)20-57(73-44)19-27(3)47-41(72-57)16-34(60)45(24-59)69-47/h25,27-28,30-45,47-55,60H,2,5,7-24,59H2,1,3-4,6H3/t25-,27+,28+,30+,31+,32-,33+,34-,35+,36+,37-,38-,39+,40+,41+,42-,43+,44+,45-,47+,48+,49+,50-,51+,52+,53+,54-,55+,56+,57-,58+/m1/s1
InChIKeyMJMBDBINYFNDST-UWJPGFHWSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
e-7130 (CHEBI:758470) has role antineoplastic agent (CHEBI:35610)
e-7130 (CHEBI:758470) is a furopyran (CHEBI:74927)
Synonyms  Source
C52-halichondrin-b amineChEMBL
E 7130ChEMBL
E-7130ChEMBL
E7130ChEMBL