CHEBI:4002 - Cyclofoetoside B

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ChEBI Name Cyclofoetoside B
ChEBI ID CHEBI:4002
Stars This entity has been manually annotated by a third party.
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Formula C47H80O18
Net Charge 0
Average Mass 933.129
Monoisotopic Mass 932.53447
InChI InChI=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
InChIKey JDYWIMCSAUNOHC-OOLFRTMQSA-N
SMILES C[C@H](CC[C@H](O)C(C)(C)O)C1[C@H](C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@]4(C)CO)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Roles Classification
Biological Role(s): 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.
(via cucurbitacin )
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ChEBI Ontology
Outgoing 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 B KEGG COMPOUND
Manual Xrefs Databases
C00003513 KNApSAcK
C08939 KEGG COMPOUND
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Registry Number Type Source
108333-83-1 CAS Registry Number KEGG COMPOUND
Last Modified
30 January 2020