CHEBI:3412 - Cardiopetalidine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cardiopetalidine
ChEBI ID CHEBI:3412
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H33NO4
Net Charge 0
Average Mass 363.492
Monoisotopic Mass 363.24096
InChI InChI=1S/C21H33NO4/c1-3-22-10-18(2)6-5-14(23)21-12-8-11-4-7-19(25,15(12)16(11)24)20(26,17(21)22)9-13(18)21/h11-17,23-26H,3-10H2,1-2H3/t11-,12+,13+,14-,15+,16-,17?,18-,19+,20+,21+/m0/s1
InChIKey AIQHURFKXYCRCF-DFKOQAFRSA-N
SMILES CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5[C@H]6O)[C@@](O)(C[C@H]23)C14
ChEBI Ontology
Outgoing Cardiopetalidine (CHEBI:3412) is a diterpenoid (CHEBI:23849)
Synonym Source
Cardiopetalidine KEGG COMPOUND
Manual Xrefs Databases
C00001623 KNApSAcK
C08667 KEGG COMPOUND
View more database links
Registry Number Type Source
75375-44-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014