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chaetoglobosin A

MNXM103672 is deprecated and here replaced by MNXM1363654
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363654 Image of MNXM1363654
referencechebi:68798
formulaC32H36N2O5
global charge0
mol weight528.649
InChIKeyOUMWCYMRLMEZJH-VOXRAUTJSA-N
InChIInChI=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
SMILESC/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](CC4=CNC5=CC=CC=C45)NC(=O)[C@]32C(=O)/C=C/C(=O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1363654
SMILES (mnx)[CH3:1][C@H:17]1[CH2:8]/[CH:7]=[CH:10]/[C@H:22]2[C@H:29]3[C@@:31]([CH3:4])([C@@H:19]([CH3:3])[C@H:27]4[C@H:24]([CH2:15][C:20]5=[CH:16][NH:33][C:23]6=[CH:11][CH:6]=[CH:5][CH:9]=[C:21]56)[N:34]=[C:30]([OH:38])[C@@:32]24[C:26](=[O:36])/[CH:13]=[CH:12]/[C:25](=[O:35])[C@H:28]([OH:37])/[C:18]([CH3:2])=[CH:14]/1)[O:39]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:68798
chebi:68798
OUMWCYMRLMEZJH-VOXRAUTJSA-N 		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

metacyc.compound:CPD-17433
metacycM:CPD-17433
seed.compound:cpd31707
seedM:cpd31707
OUMWCYMRLMEZJH-VOXRAUTJSA-N 		chaetoglobosin A

seedM:M_cpd31707 		secondary/obsolete/fantasy identifier