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gossypol

MNXM8688 is deprecated and here replaced by MNXM1108525
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108525 Image of MNXM1108525
referencechebi:28584
formulaC30H30O8
global charge0
mol weight518.562
InChIKeyQBKSWRVVCFFDOT-UHFFFAOYSA-N
InChIInChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
SMILESCC1=CC2=C(C(C)C)C(O)=C(O)C(C=O)=C2C(O)=C1C1=C(O)C2=C(C=C1C)C(C(C)C)=C(O)C(O)=C2C=O
MNX internals
InChI (mnx)InChI=1/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3 Image of MNXM1108525
SMILES (mnx)[CH3:1][CH:11]([CH3:2])[C:19]1=[C:15]2[CH:7]=[C:13]([CH3:5])[C:21]([C:22]3=[C:28]([OH:36])[C:24]4=[C:18]([CH:10]=[O:32])[C:26]([OH:34])=[C:30]([OH:38])[C:20]([CH:12]([CH3:3])[CH3:4])=[C:16]4[CH:8]=[C:14]3[CH3:6])=[C:27]([OH:35])[C:23]2=[C:17]([CH:9]=[O:31])[C:25]([OH:33])=[C:29]1[OH:37]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28584
chebi:28584
QBKSWRVVCFFDOT-UHFFFAOYSA-N 		gossypol
1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehyde
1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-8,8'-dicarbaldehyde
1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-diisopropyl-2,2'-binaphthyl-8,8'-dialdehyde
1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-diisopropyl[2,2'-binaphthalene]-8,8'-dicarboxaldehyde
1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarboxaldehyde
1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde
1,6,7,1',6',7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-8,8'-dicarboxaldehyde
2,2'-bis[1,6,7-trihydroxy-3-methyl-5-isopropyl-8-aldehydonaphthyl]
2,2'-bis[8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methylnaphthyl]
gosipol
hmdb:HMDB0040723
QBKSWRVVCFFDOT-UHFFFAOYSA-N 		(-)-Gossypol
(+)-Gossypol
(+-)-Gossypol
(+/-)-gossypol
(-)-gossypol
(R)-(-)-Gossypol
(R)-Gossypol
7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde
Dipotassium salt, gossypol
Gossypol
Gossypol dipotassium salt
Gossypol from cotton seeds
Gossypol sodium salt
Gossypol, (+)-isomer
Gossypol, (+-)-isomer
Gossypol, (-)-isomer
Pogosin
Racemic-gossypol
Sodium salt, gossypol
Tash 1

kegg.compound:C07667
keggC:C07667
lipidmaps:LMPR0103330002
lipidmapsM:LMPR0103330002
QBKSWRVVCFFDOT-UHFFFAOYSA-N 		Gossypol

seed.compound:cpd04828
seedM:cpd04828
QBKSWRVVCFFDOT-UHFFFAOYSA-N 		Gossypol
gossypol

metacyc.compound:CPD-9526
metacycM:CPD-9526
QBKSWRVVCFFDOT-UHFFFAOYSA-N 		gossypol

hmdb:HMDB40723
chebi:24427
chebi:5526
keggC:M_C07667
seedM:M_cpd04828 		secondary/obsolete/fantasy identifier