CHEBI:3519 - Celapanine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Celapanine
ChEBI ID CHEBI:3519
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H35NO10
Net Charge 0
Average Mass 569.601
Monoisotopic Mass 569.22610
InChI InChI=1S/C30H35NO10/c1-16-9-10-21(37-17(2)32)29(6)25(40-26(34)19-8-7-12-31-14-19)23(38-18(3)33)22-24(30(16,29)41-28(22,4)5)39-27(35)20-11-13-36-15-20/h7-8,11-16,21-25H,9-10H2,1-6H3/t16?,21-,22+,23+,24+,25-,29-,30+/m0/s1
InChIKey MHXMEJIEIHJTGN-GTTNOKDOSA-N
SMILES CC1CC[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(=O)c3cccnc3)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4ccoc4)[C@]12OC3(C)C
ChEBI Ontology
Outgoing Celapanine (CHEBI:3519) is a sesquiterpenoid (CHEBI:26658)
Synonym Source
Celapanine KEGG COMPOUND
Manual Xrefs Databases
C00001968 KNApSAcK
C09937 KEGG COMPOUND
View more database links
Registry Number Type Source
52658-32-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014