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(S)-5'-oxoaverantin

PropertiesImage
MNX_IDMNXM8155 Image of MNXM8155
referencechebi:77933
formulaC20H17O8
global charge-1
mol weight385.348
InChIKeyJJDSVOQKAOJVOK-LBPRGKRZSA-M
InChIInChI=1S/C20H18O8/c1-8(21)3-2-4-12(23)17-14(25)7-11-16(20(17)28)19(27)15-10(18(11)26)5-9(22)6-13(15)24/h5-7,12,22-25,28H,2-4H2,1H3/p-1/t12-/m0/s1
SMILESCC(=O)CCC[C@H](O)C1=C(O)C=C2C(=O)C3=C(C(=O)C2=C1O)C(O)=CC([O-])=C3
MNX internals
InChI (mnx)InChI=1/C20H18O8/c1-8(21)3-2-4-12(23)17-14(25)7-11-16(20(17)28)19(27)15-10(18(11)26)5-9(22)6-13(15)24/h5-7,12,22-25,28H,2-4H2,1H3/t12-/m0/s1 Image of MNXM8155
SMILES (mnx)[CH3:1][C:8]([CH2:3][CH2:2][CH2:4][C@@H:12]([C:17]1=[C:14]([OH:25])[CH:7]=[C:11]2[C:16](=[C:20]1[OH:28])[C:19](=[O:27])[C:15]1=[C:10]([CH:5]=[C:9]([OH:22])[CH:6]=[C:13]1[OH:24])[C:18]2=[O:26])[OH:23])=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77933
chebi:77933
JJDSVOQKAOJVOK-LBPRGKRZSA-M 		(S)-5'-oxoaverantin
(S)-5'-oxoaverantin(1-)
4,5,7-trihydroxy-6-[(1S)-1-hydroxy-5-oxohexyl]-9,10-dioxo-9,10-dihydroanthracen-2-olate

CHEBI:71649
chebi:71649
JJDSVOQKAOJVOK-LBPRGKRZSA-N 		(S)-5'-oxoaverantin
1,3,6,8-tetrahydroxy-2-[(1S)-1-hydroxy-5-oxohexyl]-9,10-anthraquinone
5'-ketoaverantin
OAVN

kegg.compound:C20502
keggC:C20502
JJDSVOQKAOJVOK-LBPRGKRZSA-N 		5'-Oxoaverantin
1,3,6,8-Tetrahydroxy-2-[(1S)-1-hydroxy-5-oxohexyl]anthracene-9,10-dione

seed.compound:cpd22586
seedM:cpd22586
JJDSVOQKAOJVOK-LBPRGKRZSA-N 		5'-ketoaverantin
1,3,6,8-Tetrahydroxy-2-[(1S)-1-hydroxy-5-oxohexyl]anthracene-9,10-dione
5'-Oxoaverantin
5'-oxoaverantin

metacyc.compound:CPD-10166
metacycM:CPD-10166
JJDSVOQKAOJVOK-LBPRGKRZSA-L 		5'-oxoaverantin
5'-ketoaverantin

keggC:M_C20502
seedM:M_cpd22586 		secondary/obsolete/fantasy identifier