CHEBI:7657 - Nudicauline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Nudicauline
ChEBI ID CHEBI:7657
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C38H50N2O11
Net Charge 0
Average Mass 710.812
Monoisotopic Mass 710.34146
InChI InChI=1S/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22+,23+,25-,26-,28+,29-,30+,31-,34?,35-,36+,37-,38+/m0/s1
InChIKey IPWQJEONCUFCOR-RNNMQTRDSA-N
SMILES CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(C)=O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)C14
ChEBI Ontology
Outgoing Nudicauline (CHEBI:7657) is a diterpenoid (CHEBI:23849)
Synonym Source
Nudicauline KEGG COMPOUND
Manual Xrefs Databases
C00001658 KNApSAcK
C08702 KEGG COMPOUND
View more database links
Registry Number Type Source
99815-83-5 CAS Registry Number KEGG COMPOUND
Last Modified
04 December 2019