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(2S)-versicolorone

PropertiesImage
MNX_IDMNXM13256 Image of MNXM13256
referencechebi:73281
formulaC20H17O8
global charge-1
mol weight385.348
InChIKeyHORUZDQRRJSTED-SECBINFHSA-M
InChIInChI=1S/C20H18O8/c1-8(22)2-3-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,9,21,23-25,27H,2-3,7H2,1H3/p-1/t9-/m1/s1
SMILESCC(=O)CC[C@H](CO)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(22)2-3-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,9,21,23-25,27H,2-3,7H2,1H3/t9-/m1/s1 Image of MNXM13256
SMILES (mnx)[CH3:1][C:8]([CH2:2][CH2:3][C@H:9]([CH2:7][OH:21])[C:15]1=[C:14]([OH:25])[CH:6]=[C:12]2[C:17](=[C:19]1[OH:27])[C:20](=[O:28])[C:16]1=[C:11]([CH:4]=[C:10]([OH:23])[CH:5]=[C:13]1[OH:24])[C:18]2=[O:26])=[O:22]
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

CHEBI:73281
chebi:73281
HORUZDQRRJSTED-SECBINFHSA-M 		(2S)-versicolorone
(2S)-versicolorone(1-)
4,5,7-trihydroxy-3-[(2S)-1-hydroxy-5-oxohexan-2-yl]-9,10-dioxo-9,10-dihydroanthracen-2-olate

CHEBI:72670
chebi:72670
HORUZDQRRJSTED-SECBINFHSA-L 		(2S)-versicolorone(2-)
4,5-dihydroxy-3-[(2S)-1-hydroxy-5-oxohexan-2-yl]-9,10-dioxo-9,10-dihydroanthracene-2,7-diolate

CHEBI:72707
chebi:72707
HORUZDQRRJSTED-SECBINFHSA-N 		(2S)-versicolorone
(2S)-versicolorone anthraquinone form
(2S)-versicolorone tricyclic form
1,3,6,8-tetrahydroxy-2-[(2S)-1-hydroxy-5-oxohexan-2-yl]-9,10-anthraquinone

seed.compound:cpd31147
seedM:cpd31147
kegg.compound:C20504
keggC:C20504
HORUZDQRRJSTED-SECBINFHSA-M
HORUZDQRRJSTED-SECBINFHSA-N 		Versicolorone

CHEBI:71653
chebi:71653
HORUZDQRRJSTED-UHFFFAOYSA-N 		versicolorone tricyclic form
1,3,6,8-tetrahydroxy-2-(1-hydroxy-5-oxohexan-2-yl)-9,10-anthraquinone
versicolorone
versicolorone anthraquinone form

metacyc.compound:CPD-10169
metacycM:CPD-10169
seed.compound:cpd22589
seedM:cpd22589
HORUZDQRRJSTED-UHFFFAOYSA-L
HORUZDQRRJSTED-UHFFFAOYSA-M 		versicolorone
1,3,6,8-tetrahydroxy-2-[(2S)-1-hydroxy-5-oxohexan-2-yl]anthracene-5,10-dione

CHEBI:71635
chebi:71635
HORUZDQRRJSTED-UHFFFAOYSA-M 		versicolorone
4,5,7-trihydroxy-3-(1-hydroxy-5-oxohexan-2-yl)-9,10-dioxo-9,10-dihydroanthracen-2-olate
versicolorone tricyclic form(1-)
versicolorone(1-)

keggC:M_C20504
seedM:M_cpd22589
seedM:M_cpd31147 		secondary/obsolete/fantasy identifier