CHEBI:4377 - Delavaine A

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ChEBI Name Delavaine A
ChEBI ID CHEBI:4377
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C38H54N2O11
Net Charge 0
Average Mass 714.844
Monoisotopic Mass 714.37276
InChI InChI=1S/C38H54N2O11/c1-8-40-18-35(19-51-33(43)21-11-9-10-12-24(21)39-32(42)20(2)15-27(41)48-5)14-13-26(47-4)37-23-16-22-25(46-3)17-36(44,28(23)29(22)49-6)38(45,34(37)40)31(50-7)30(35)37/h9-12,20,22-23,25-26,28-31,34,44-45H,8,13-19H2,1-7H3,(H,39,42)/t20?,22-,23-,25+,26+,28-,29+,30-,31+,34?,35+,36-,37+,38-/m1/s1
InChIKey JCUPDVBWNHFOAD-LVBPXUMQSA-N
SMILES CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)C(C)CC(=O)OC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)C14
ChEBI Ontology
Outgoing Delavaine A (CHEBI:4377) is a diterpenoid (CHEBI:23849)
Synonym Source
Delavaine A KEGG COMPOUND
Manual Xrefs Databases
C00001630 KNApSAcK
C08674 KEGG COMPOUND
View more database links
Registry Number Type Source
109291-57-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014