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1-[4,5,7,10-tetrahydroxy-3-(3-oxobutanoyl)anthracen-2-yl]pentane-1,2,4-trione

MNXM97370 is deprecated and here replaced by MNXM1372601
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372601 Image of MNXM1372601
referencemetacycM:CPD-14365
formulaC23H16O9
global charge-2
mol weight436.372
InChIKeyDVKUYLIKHYAIMK-UHFFFAOYSA-M
InChIInChI=1S/C23H17O9/c1-9(24)3-15(27)20-14(21(30)17(29)4-10(2)25)7-12-5-11-6-13(26)8-16(28)18(11)22(31)19(12)23(20)32/h4-8,26,28,31-32H,3H2,1-2H3/q-1/p-1
SMILESCC(=O)[CH-]C(=O)C(=O)C1=CC2=C(C([O-])=C1C(=O)CC(C)=O)C(O)=C1C(O)=CC(O)=CC1=C2
MNX internals
InChI (mnx)InChI=1/C23H17O9/c1-9(24)3-15(27)20-14(21(30)17(29)4-10(2)25)7-12-5-11-6-13(26)8-16(28)18(11)22(31)19(12)23(20)32/h4-8,26,28,31-32H,3H2,1-2H3/q-1 Image of MNXM1372601
SMILES (mnx)[CH3:1][C:9]([CH2:3][C:15]([C:20]1=[C:14]([C:21]([C:17]([CH-:4][C:10]([CH3:2])=[O:25])=[O:29])=[O:30])[CH:7]=[C:12]2[CH:5]=[C:11]3[CH:6]=[C:13]([OH:26])[CH:8]=[C:16]([OH:28])[C:18]3=[C:22]([OH:31])[C:19]2=[C:23]1[OH:32])=[O:27])=[O:24]
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-14365
metacycM:CPD-14365
DVKUYLIKHYAIMK-UHFFFAOYSA-M 		1-[4,5,7,10-tetrahydroxy-3-(3-oxobutanoyl)anthracen-2-yl]pentane-1,2,4-trione