CHEBI:3450 - Cashmiradelphine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cashmiradelphine
ChEBI ID CHEBI:3450
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C37H52N2O11
Net Charge 0
Average Mass 700.817
Monoisotopic Mass 700.35711
InChI InChI=1S/C37H52N2O11/c1-7-39-18-34(19-50-32(42)20-10-8-9-11-23(20)38-26(40)12-13-27(41)47-4)15-14-25(46-3)36-22-16-21-24(45-2)17-35(43,28(22)29(21)48-5)37(44,33(36)39)31(49-6)30(34)36/h8-11,21-22,24-25,28-31,33,43-44H,7,12-19H2,1-6H3,(H,38,40)/t21-,22-,24+,25+,28-,29+,30-,31+,33?,34+,35-,36+,37-/m1/s1
InChIKey SVMCGAKQNRLCHV-RIBDQKFBSA-N
SMILES [C@@]123[C@]4([C@](CN(C1[C@]([C@]5(C[C@@H]([C@]6(C[C@@]2([C@@]5([C@H]6OC)[H])[H])[H])OC)O)(O)[C@H]4OC)CC)(CC[C@@H]3OC)COC(C7=C(NC(CCC(OC)=O)=O)C=CC=C7)=O)[H]
ChEBI Ontology
Outgoing Cashmiradelphine (CHEBI:3450) is a diterpenoid (CHEBI:23849)
Synonyms Sources
Cashmiradelphine KEGG COMPOUND
Septentriodine KEGG COMPOUND
Manual Xrefs Databases
C00001624 KNApSAcK
C08668 KEGG COMPOUND
View more database links
Registry Number Type Source
69787-05-9 CAS Registry Number KEGG COMPOUND
Last Modified
12 February 2018