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aspulvinone H

MNXM4474 is deprecated and here replaced by MNXM1369544
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369544 Image of MNXM1369544
referencechebi:58013
formulaC27H27O5
global charge-1
mol weight431.508
InChIKeyLFDYHAWYVIBCDT-OYKKKHCWSA-M
InChIInChI=1S/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3/p-1/b24-14-
SMILESCC(C)=CCC1=C(O)C=CC(/C=C2\OC(=O)C(C3=CC(CC=C(C)C)=C(O)C=C3)=C2[O-])=C1
MNX internals
InChI (mnx)InChI=1/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3/b24-14- Image of MNXM1369544
SMILES (mnx)[CH3:1][C:16]([CH3:2])=[CH:5][CH2:8][C:19]1=[C:22]([OH:28])[CH:11]=[CH:7][C:18](/[CH:14]=[C:24]2/[C:26]([OH:30])=[C:25]([C:21]3=[CH:15][C:20]([CH2:9][CH:6]=[C:17]([CH3:3])[CH3:4])=[C:23]([OH:29])[CH:12]=[CH:10]3)[C:27](=[O:31])[O:32]2)=[CH:13]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58013
chebi:58013
LFDYHAWYVIBCDT-OYKKKHCWSA-M 		aspulvinone H
2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzylidene]-4-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-5-oxo-2,5-dihydrofuran-3-olate
aspulvinone H anion
aspulvinone H(1-)

kegg.compound:C02008
keggC:C02008
LFDYHAWYVIBCDT-OYKKKHCWSA-N 		Aspulvinone H

vmhM:aspvnh
vmhmetabolite:aspvnh
LFDYHAWYVIBCDT-OYKKKHCWSA-N 		Aspulvinone H
3-phenylpropyl 2-methylpropanoate

metacyc.compound:ASPULVINONE-H
metacycM:ASPULVINONE-H
LFDYHAWYVIBCDT-OYKKKHCWSA-M 		aspulvinone H

CHEBI:17099
chebi:17099
LFDYHAWYVIBCDT-OYKKKHCWSA-N 		aspulvinone H
4-hydroxy-5-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzylidene]-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]furan-2(5H)-one
Aspulvinone H

chebi:13864
chebi:22668
chebi:2893
keggC:M_C02008
vmhM:M_aspvnh 		secondary/obsolete/fantasy identifier