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chaetoglobosin A

MNXM103672 is deprecated and here replaced by MNXM1100421
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100421

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

formula

C₃₂H₃₆N₂O₅

charge

mass

528.26242

reference

chebi:68798

InChIKey

OUMWCYMRLMEZJH-VOXRAUTJSA-N

InChI

InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37H,8,15H2,1-4H3,(H,34,38)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29-,31+,32+/m0/s1

SMILES

C/C1=C\[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)/C=C/C(=O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68798 chebi:68798	chaetoglobosin A (1E,4S,5E,7R,9E,11aR,14S,14aR,15S,15aR,16bR)-7-hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-4,7,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindole-8,11,12(13H)-trione
lipidmaps:LMPK11000003 lipidmapsM:LMPK11000003	Chaetoglobosin A
metacyc.compound:CPD-17433 metacycM:CPD-17433 seed.compound:cpd31707 seedM:cpd31707	chaetoglobosin A
seedM:M_cpd31707	secondary/obsolete/fantasy identifier