CHEBI:34907 - Paxilline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Paxilline
ChEBI ID CHEBI:34907
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H33NO4
Net Charge 0
Average Mass 435.556
Monoisotopic Mass 435.241
InChI InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1
InChIKey ACNHBCIZLNNLRS-UBGQALKQSA-N
SMILES CC(C)(O)[C@H]1O[C@H]2CC[C@]3(C)[C@]4(C)[C@H](Cc5c4[nH]c4ccccc54)CC[C@@]3(O)C2=CC1=O
ChEBI Ontology
Outgoing Paxilline (CHEBI:34907) is a organic heterotricyclic compound (CHEBI:26979)
Paxilline (CHEBI:34907) is a organooxygen compound (CHEBI:36963)
Synonym Source
Paxilline KEGG COMPOUND
Manual Xrefs Databases
C00023582 KNApSAcK
C13782 KEGG COMPOUND
View more database links
Registry Number Type Source
57186-25-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014