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5-hydroxyanthrotainin

MNXM147852 is deprecated and here replaced by MNXM1368222
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368222 Image of MNXM1368222
referencechebi:218553
formulaC20H17NO10
global charge0
mol weight431.353
InChIKeyJENSOXBZLVHOFV-YSSFQJQWSA-N
InChIInChI=1S/C20H17NO10/c1-31-7-2-6-3-8-12(14(24)11(6)9(22)4-7)16(26)20(30)17(27)13(18(21)28)10(23)5-19(20,29)15(8)25/h2-4,15,22,24-25,27,29-30H,5H2,1H3,(H2,21,28)/t15-,19-,20-/m0/s1
SMILESCOC1=CC2=CC3=C(C(=O)[C@]4(O)C(O)=C(C(N)=O)C(=O)C[C@]4(O)[C@H]3O)C(O)=C2C(O)=C1
MNX internals
InChI (mnx)InChI=1/C20H17NO10/c1-31-7-2-6-3-8-12(14(24)11(6)9(22)4-7)16(26)20(30)17(27)13(18(21)28)10(23)5-19(20,29)15(8)25/h2-4,15,22,24-25,27,29-30H,5H2,1H3,(H2,21,28)/t15-,19-,20-/m0/s1 Image of MNXM1368222
SMILES (mnx)[CH3:1][O:31][C:7]1=[CH:4][C:9]([OH:22])=[C:11]2[C:6](=[CH:2]1)[CH:3]=[C:8]1[C:12](=[C:14]2[OH:24])[C:16](=[O:26])[C@:20]2([OH:30])[C:17]([OH:27])=[C:13]([C:18](=[NH:21])[OH:28])[C:10](=[O:23])[CH2:5][C@:19]2([OH:29])[C@H:15]1[OH:25]
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:218553
chebi:218553
JENSOXBZLVHOFV-YSSFQJQWSA-N 		5-hydroxyanthrotainin
(4aS,5S,12aS)-1,4a,5,10,11,12a-hexahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboxamide

seed.compound:cpd32822
seedM:cpd32822
JENSOXBZLVHOFV-YSSFQJQWSA-M 		5-hydroxyanthrotainin

seedM:M_cpd32822 		secondary/obsolete/fantasy identifier