CHEBI:754 - 14-Deacetylnudicauline

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ChEBI Name 14-Deacetylnudicauline
ChEBI ID CHEBI:754
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C36H48N2O10
Net Charge 0
Average Mass 668.775
Monoisotopic Mass 668.33090
InChI InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1
InChIKey GFWYSOWSJXKFFQ-ITNXDDNLSA-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](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)C14
ChEBI Ontology
Outgoing 14-Deacetylnudicauline (CHEBI:754) is a diterpenoid (CHEBI:23849)
Synonym Source
14-Deacetylnudicauline KEGG COMPOUND
Manual Xrefs Databases
C00001629 KNApSAcK
C08673 KEGG COMPOUND
View more database links
Registry Number Type Source
119347-24-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014