CHEBI:4384 - Delphinine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Delphinine
ChEBI ID CHEBI:4384
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H45NO9
Net Charge 0
Average Mass 599.713
Monoisotopic Mass 599.309
InChI InChI=1S/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,27?,28-,30+,31+,32-,33+/m1/s1
InChIKey REVYTWNGZDPRKE-UWZYQZSNSA-N
SMILES COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](C[C@@H]6OC)(OC(C)=O)[C@@H]([C@H](OC)[C@H]13)C4N(C)C2
ChEBI Ontology
Outgoing Delphinine (CHEBI:4384) is a diterpenoid (CHEBI:23849)
Synonym Source
Delphinine KEGG COMPOUND
Manual Xrefs Databases
C00001633 KNApSAcK
C08677 KEGG COMPOUND
View more database links
Registry Number Type Source
561-07-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014