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terrequinone A

MNXM83678 is deprecated and here replaced by MNXM1100778
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1100778 Image of MNXM1100778
referencemetacycM:CPD-16846
formulaC32H30N2O3
global charge0
mol weight490.603
InChIKeyXPMTZVKCKSKFGF-UHFFFAOYSA-N
InChIInChI=1S/C32H30N2O3/c1-6-32(4,5)31-26(20-12-8-10-14-24(20)34-31)25-21(16-15-18(2)3)28(35)27(30(37)29(25)36)22-17-33-23-13-9-7-11-19(22)23/h6-15,17,33-34,37H,1,16H2,2-5H3
SMILESC=CC(C)(C)C1=C(C2=C(CC=C(C)C)C(=O)C(C3=CNC4=CC=CC=C43)=C(O)C2=O)C2=CC=CC=C2N1
MNX internals
InChI (mnx)InChI=1/C32H30N2O3/c1-6-32(4,5)31-26(20-12-8-10-14-24(20)34-31)25-21(16-15-18(2)3)28(35)27(30(37)29(25)36)22-17-33-23-13-9-7-11-19(22)23/h6-15,17,33-34,37H,1,16H2,2-5H3 Image of MNXM1100778
SMILES (mnx)[CH2:1]=[CH:6][C:32]([CH3:4])([CH3:5])[C:31]1=[C:26]([C:25]2=[C:21]([CH2:16][CH:15]=[C:18]([CH3:2])[CH3:3])[C:28](=[O:35])[C:27]([C:22]3=[CH:17][NH:33][C:23]4=[CH:13][CH:9]=[CH:7][CH:11]=[C:19]34)=[C:30]([OH:37])[C:29]2=[O:36])[C:20]2=[CH:12][CH:8]=[CH:10][CH:14]=[C:24]2[NH:34]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-16846
metacycM:CPD-16846
XPMTZVKCKSKFGF-UHFFFAOYSA-N 		terrequinone A
2-hydroxy-6-(1H-indol-3-yl)-5-(3-methylbut-2-en-1-yl)-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-1,4-benzoquinone

seed.compound:cpd34579
seedM:cpd34579
XPMTZVKCKSKFGF-UHFFFAOYSA-M 		2-hydroxy-6-(1H-indol-3-yl)-5-(3-methylbut-2-en-1-yl)-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-1,4-benzoquinone
terrequinone A

seedM:M_cpd34579 		secondary/obsolete/fantasy identifier