CHEBI:80752 - Neotigogenin

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ChEBI Name Neotigogenin
ChEBI ID CHEBI:80752
Stars This entity has been manually annotated by a third party.
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Formula C27H44O3
Net Charge 0
Average Mass 416.63650
Monoisotopic Mass 416.32905
InChI InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
InChIKey GMBQZIIUCVWOCD-PUHUBZITSA-N
SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@H](C)CO1
ChEBI Ontology
Outgoing Neotigogenin (CHEBI:80752) is a triterpenoid (CHEBI:36615)
Manual Xrefs Databases
C16819 KEGG COMPOUND
HMDB0030047 HMDB
View more database links
Registry Number Type Source
470-01-9 CAS Registry Number KEGG COMPOUND