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syn-Stemoden-19-oate

Properties

Image

Occurences in reactions

MNX_ID

MNXM21947

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₂₀H₃₀O₂

charge

mass

302.22458

reference

keggC:C20208

InChIKey

REZQHIIQALKSCD-WKSOIMLMSA-N

InChI

InChI=1S/C20H30O2/c1-13-7-10-20-12-14(13)11-15(20)5-6-16-18(2,17(21)22)8-4-9-19(16,20)3/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,16-,18-,19-,20+/m0/s1

SMILES

C=C1CC[C@@]23C[C@@H]1C[C@@H]2CC[C@H]1[C@@](C)(C(=O)O)CCC[C@@]13C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
sabiork.compound:30178 sabiorkM:30178 kegg.compound:C20208 keggC:C20208	syn-Stemoden-19-oate
metacyc.compound:CPD-16681 metacycM:CPD-16681	9beta-stemod-13(17)-en-19-oate syn-stemod-13(17)-en-19-oate syn-stemod-13(17)-en-19-oic acid syn-stemoden-19-oate syn-stemoden-19-oic acid
seed.compound:cpd21441 seedM:cpd21441	syn-Stemoden-19-oate 9beta-stemod-13(17)-en-19-oate syn-stemod-13(17)-en-19-oate syn-stemod-13(17)-en-19-oic acid syn-stemoden-19-oate syn-stemoden-19-oic acid
keggC:M_C20208 seedM:M_cpd21441	secondary/obsolete/fantasy identifier