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CHEBI:9250 - Staphidine

Default Structure
ChEBI IDCHEBI:9250
ChEBI NameStaphidine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC42H58N2O
Net Charge0
Average Mass606.939
Monoisotopic Mass606.45491
SMILES[H][C@@]12CC[C@@]34C[C@@]5(CC[C@]67C8C[C@@]9(CCC%10=C(C[C@H]%11CN(C)C[C@]%10(C)C%11)C9=C[C@H]86)[C@@H]7O5)[C@H]5CC3C3N(C)C[C@]1(C)CCC[C@]32[C@]4([H])C5
InChIInChI=1S/C42H58N2O/c1-36-8-5-9-42-32(36)7-11-39-21-40(25(16-33(39)42)15-30(39)34(42)44(4)23-36)12-13-41-29-17-28-26-14-24-18-37(2,22-43(3)20-24)27(26)6-10-38(28,19-31(29)41)35(41)45-40/h17,24-25,29-35H,5-16,18-23H2,1-4H3/t24?,25-,29+,30?,31?,32+,33+,34?,35-,36-,37-,38+,39+,40-,41+,42-/m0/s1
InChIKeyMIQIFBIWUBAPTB-KJQQCQNYSA-N
ChEBI Ontology
Outgoing Relation(s)
Staphidine (CHEBI:9250) is a triterpenoid (CHEBI:36615)
Synonym  Source
StaphidineKEGG COMPOUND
Manual XrefsDatabases
C00001668KNApSAcK
C08712KEGG COMPOUND
Registry NumbersSources
CAS:59588-15-7KEGG COMPOUND