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20,21-Diprenylterpendole C

MNXM146900 is deprecated and here replaced by MNXM1100347
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100347

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₄₂H₅₇NO₅

charge

mass

655.42367

reference

keggC:C20595

InChIKey

HXQRMKPANJZAHF-GYGPEUFLSA-N

InChI

InChI=1S/C42H57NO5/c1-23(2)11-13-26-14-16-30-33(28(26)15-12-24(3)4)29-22-27-17-20-41(44)39(9,40(27,10)35(29)43-30)19-18-31-42(41)37(48-42)34-36(45-31)38(7,8)47-32(46-34)21-25(5)6/h11-12,14,16,21,27,31-32,34,36-37,43-44H,13,15,17-20,22H2,1-10H3/t27-,31-,32-,34+,36-,37+,39+,40+,41-,42-/m0/s1

SMILES

CC(C)=CCc1ccc2[nH]c3c(c2c1CC=C(C)C)C[C@@H]1CC[C@@]2(O)[C@@]45O[C@@H]4[C@@H]4O[C@H](C=C(C)C)OC(C)(C)[C@H]4O[C@H]5CC[C@]2(C)[C@@]31C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd31214 seedM:cpd31214 kegg.compound:C20595 keggC:C20595	20,21-Diprenylterpendole C
metacyc.compound:CPD-17201 metacycM:CPD-17201 seed.compound:cpd32305 seedM:cpd32305	20,21-diprenylterpendole C
keggC:M_C20595 seedM:M_cpd31214 seedM:M_cpd32305	secondary/obsolete/fantasy identifier