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CHEBI:756779 - e7107

Default Structure
ChEBI IDCHEBI:756779
ChEBI Namee7107
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC40H66N2O9
Net Charge0
Average Mass718.973
Monoisotopic Mass718.47683
SMILES[H][C@]1([C@H](C)[C@@H](O)CC)O[C@@H]1C[C@@](C)(O)/C=C/C=C(\C)[C@@]1([H])OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C3CCCCCC3)CC2)/C=C/[C@@H]1C
InChIInChI=1S/C40H66N2O9/c1-7-32(44)29(4)37-33(49-37)26-39(5,47)19-12-13-27(2)36-28(3)16-17-34(40(6,48)20-18-31(43)25-35(45)51-36)50-38(46)42-23-21-41(22-24-42)30-14-10-8-9-11-15-30/h12-13,16-17,19,28-34,36-37,43-44,47-48H,7-11,14-15,18,20-26H2,1-6H3/b17-16+,19-12+,27-13+/t28-,29+,31+,32-,33+,34-,36+,37+,39-,40+/m0/s1
InChIKeyMNOMBFWMICHMKG-MGYWSNOQSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
e7107 (CHEBI:756779) has role antineoplastic agent (CHEBI:35610)
e7107 (CHEBI:756779) is a diterpene lactone (CHEBI:49193)
Synonym  Source
E7107ChEMBL