CHEBI:4380 - Delcorine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Delcorine
ChEBI ID CHEBI:4380
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H41NO7
Net Charge 0
Average Mass 479.607
Monoisotopic Mass 479.28830
InChI InChI=1S/C26H41NO7/c1-6-27-11-23(12-29-2)8-7-17(31-4)25-15-9-14-16(30-3)10-24(18(15)19(14)32-5)26(22(25)27,34-13-33-24)21(28)20(23)25/h14-22,28H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+,22?,23+,24-,25+,26-/m1/s1
InChIKey XTLROSDJDZHIIK-VIGIWSGCSA-N
SMILES CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@@]5(C[C@@H]6OC)OCO[C@]5([C@@H](O)[C@H]23)C14
ChEBI Ontology
Outgoing Delcorine (CHEBI:4380) is a diterpenoid (CHEBI:23849)
Synonym Source
Delcorine KEGG COMPOUND
Manual Xrefs Databases
C00001631 KNApSAcK
C08675 KEGG COMPOUND
View more database links
Registry Number Type Source
52358-55-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014