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CHEBI:4002 - Cyclofoetoside B

ChEBI IDCHEBI:4002
ChEBI NameCyclofoetoside B
Stars
Last Modified30 January 2020
DownloadsMolfile
FormulaC47H80O18
Net Charge0
Average Mass933.139
Monoisotopic Mass932.53447
SMILES[H][C@@]12CC[C@]3([H])[C@@]4(CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@]3(C)CO)C[C@@]14CC[C@]1(C)C([C@H](C)CC[C@H](O)C(C)(C)O)[C@@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21C
InChIInChI=1S/C47H80O18/c1-21(8-11-28(50)42(3,4)59)30-24(63-41-38(58)35(55)33(53)25(64-41)18-61-39-37(57)34(54)31(51)22(2)62-39)16-45(7)27-10-9-26-43(5,20-48)29(65-40-36(56)32(52)23(49)17-60-40)12-13-46(26)19-47(27,46)15-14-44(30,45)6/h21-41,48-59H,8-20H2,1-7H3/t21-,22+,23+,24+,25-,26+,27+,28+,29+,30?,31+,32+,33-,34-,35+,36-,37-,38-,39-,40+,41-,43-,44-,45+,46-,47+/m1/s1
InChIKeyJDYWIMCSAUNOHC-OOLFRTMQSA-N
Roles Classification
Biological Role:
allelochemical  A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
ChEBI Ontology
Outgoing Relation(s)
Cyclofoetoside B (CHEBI:4002) is a 4β-hydroxymethyl steroid (CHEBI:145945)
Cyclofoetoside B (CHEBI:4002) is a cucurbitacin (CHEBI:16219)
Cyclofoetoside B (CHEBI:4002) is a glycoside (CHEBI:24400)
Synonym  Source
Cyclofoetoside BKEGG COMPOUND
Manual XrefsDatabases
C08939KEGG COMPOUND
C00003513KNApSAcK
Registry NumbersSources
CAS:108333-83-1KEGG COMPOUND