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Lolitrem E

MNXM146407 is deprecated and here replaced by MNXM1100331
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100331

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

formula

C₄₂H₅₇NO₇

charge

mass

687.4135

reference

keggC:C20550

InChIKey

XERCMAQJPCQQAO-OKQVYEMSSA-N

InChI

InChI=1S/C42H57NO7/c1-21(2)15-18-47-38(7,8)34-32(45)35-42(49-35)28(48-34)14-16-39(9)40(10)22(13-17-41(39,42)46)19-25-29-24-20-26-30(37(5,6)50-36(26,3)4)31(44)23(24)11-12-27(29)43-33(25)40/h11-12,15,22,26,28,30,32,34-35,43,45-46H,13-14,16-20H2,1-10H3/t22-,26+,28-,30-,32+,34-,35+,39+,40+,41-,42-/m0/s1

SMILES

CC(C)=CCOC(C)(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6ccc7c(c6c5C[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@@H]1O)C[C@@H]1[C@@H](C7=O)C(C)(C)OC1(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd31184 seedM:cpd31184 kegg.compound:C20550 keggC:C20550	Lolitrem E
metacyc.compound:CPD-17203 metacycM:CPD-17203 seed.compound:cpd32238 seedM:cpd32238	lolitrem E
keggC:M_C20550 seedM:M_cpd31184 seedM:M_cpd32238	secondary/obsolete/fantasy identifier