CHEBI:3471 - Catheduline E2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Catheduline E2
ChEBI ID CHEBI:3471
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C38H40N2O11
Net Charge 0
Average Mass 700.732
Monoisotopic Mass 700.26321
InChI InChI=1S/C38H40N2O11/c1-22-17-29(47-23(2)41)31(48-24(3)42)37(21-46-33(43)26-13-9-15-39-19-26)32(50-34(44)25-11-7-6-8-12-25)30(28-18-38(22,37)51-36(28,4)5)49-35(45)27-14-10-16-40-20-27/h6-16,19-20,22,28-32H,17-18,21H2,1-5H3/t22-,28+,29+,30-,31+,32+,37+,38+/m1/s1
InChIKey JNJVNIAUYUVQJX-VIUWVPTDSA-N
SMILES C[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(COC(=O)c3cccnc3)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3cccnc3)[C@@H]3C[C@]12OC3(C)C
ChEBI Ontology
Outgoing Catheduline E2 (CHEBI:3471) is a sesquiterpenoid (CHEBI:26658)
Synonym Source
Catheduline E2 KEGG COMPOUND
Manual Xrefs Databases
C00001967 KNApSAcK
C09935 KEGG COMPOUND
View more database links
Registry Number Type Source
61231-06-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014