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tigogenin

MNXM731520 is deprecated and replaced by MNXM731519

Properties

Image

Occurences in reactions

MNX_ID

MNXM731519

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₇H₄₄O₃

charge

mass

416.32905

reference

chebi:9595

InChIKey

GMBQZIIUCVWOCD-MFRNJXNGSA-N

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-/m1/s1

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@@]32C)O[C@]12CC[C@@H](C)CO2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:9595 chebi:9595	tigogenin (25R)-5alpha-spirostan-3beta-ol (3-beta,5alpha,25R)-spirostan-3-ol (5alpha,25R)-spirostan-3beta-ol 5-epi-sarsasapogenin
sabiork.compound:11005 sabiorkM:11005	Tigogenin
lipidmaps:LMST01080009 lipidmapsM:LMST01080009	Tigogenin (25R)-5alpha-spirostan-3beta-ol O3 ST 27:2
seed.compound:cpd05810 seedM:cpd05810 kegg.compound:C08914 keggC:C08914	Tigogenin 5-alpha-Spirostan-3-beta-ol
keggC:M_C08914 seedM:M_cpd05810	secondary/obsolete/fantasy identifier