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CHEBI:80854 - Neogitogenin

Default Structure
ChEBI IDCHEBI:80854
ChEBI NameNeogitogenin
Stars
DownloadsMolfile
FormulaC27H44O4
Net Charge0
Average Mass432.645
Monoisotopic Mass432.32396
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)C[C@@H](O)[C@H](O)C2
InChIInChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22+,23-,24-,25-,26-,27+/m0/s1
InChIKeyFWCXELAAYFYCSR-HJXRQQMRSA-N
ChEBI Ontology
Outgoing Relation(s)
Neogitogenin (CHEBI:80854) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C17003KEGG COMPOUND