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Paspalicine

MNXM147264 is deprecated and replaced by MNXM1100334

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100334

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₂₇H₃₁NO₃

charge

mass

417.23039

reference

keggC:C20553

InChIKey

HSFKQYJRJBEWKH-XTHGXZEWSA-N

InChI

InChI=1S/C27H31NO3/c1-24(2)23-21(29)14-19-18-10-9-15-13-17-16-7-5-6-8-20(16)28-22(17)26(15,4)25(18,3)11-12-27(19,30-23)31-24/h5-8,14-15,18,23,28H,9-13H2,1-4H3/t15-,18-,23-,25-,26+,27-/m0/s1

SMILES

CC1(C)O[C@@]23CC[C@@]4(C)[C@@H](CC[C@H]5Cc6c([nH]c7ccccc67)[C@@]54C)C2=CC(=O)[C@@H]1O3

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
kegg.compound:C20553 keggC:C20553	Paspalicine
seed.compound:cpd31187 seedM:cpd31187	Paspalicine paspalicine
metacyc.compound:CPD-16961 metacycM:CPD-16961	paspalicine
keggC:M_C20553 seedM:M_cpd31187	secondary/obsolete/fantasy identifier