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Paspaline

MNXM146438 is deprecated and replaced by MNXM1100318

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100318

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

formula

C₂₈H₃₉NO₂

charge

mass

421.29808

reference

keggC:C20530

InChIKey

WLAIEIMDXUAGPY-HSECPPETSA-N

InChI

InChI=1S/C28H39NO2/c1-25(2,30)22-12-14-26(3)21-11-10-17-16-19-18-8-6-7-9-20(18)29-24(19)28(17,5)27(21,4)15-13-23(26)31-22/h6-9,17,21-23,29-30H,10-16H2,1-5H3/t17-,21-,22-,23-,26-,27-,28+/m0/s1

SMILES

CC(C)(O)[C@@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
kegg.compound:C20530 keggC:C20530	Paspaline
seed.compound:cpd31171 seedM:cpd31171	Paspaline paspaline
metacyc.compound:CPD-16741 metacycM:CPD-16741	paspaline
keggC:M_C20530 seedM:M_cpd31171	secondary/obsolete/fantasy identifier