Search MNXref
 Feedback

5-hydroxy-desmethylanthrotainin

MNXM147850 is deprecated and here replaced by MNXM1368220
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368220 Image of MNXM1368220
referencemetacycM:CPD-17874
formulaC19H14NO10
global charge-1
mol weight416.318
InChIKeyGWHRBAIGKOKTRD-JVPBZIDWSA-M
InChIInChI=1S/C19H15NO10/c20-17(28)12-9(23)4-18(29)14(25)7-2-5-1-6(21)3-8(22)10(5)13(24)11(7)15(26)19(18,30)16(12)27/h1-3,14,21-25,29-30H,4H2,(H2,20,28)/p-1/t14-,18-,19-/m0/s1
SMILESNC(=O)C1=C([O-])C[C@]2(O)[C@@H](O)C3=CC4=CC(O)=CC(O)=C4C(O)=C3C(=O)[C@]2(O)C1=O
MNX internals
InChI (mnx)InChI=1/C19H15NO10/c20-17(28)12-9(23)4-18(29)14(25)7-2-5-1-6(21)3-8(22)10(5)13(24)11(7)15(26)19(18,30)16(12)27/h1-3,14,21-25,29-30H,4H2,(H2,20,28)/t14-,18-,19-/m0/s1 Image of MNXM1368220
SMILES (mnx)[CH:1]1=[C:5]2[CH:2]=[C:7]3[C:11](=[C:13]([OH:24])[C:10]2=[C:8]([OH:22])[CH:3]=[C:6]1[OH:21])[C:15](=[O:26])[C@:19]1([OH:30])[C:16](=[O:27])[C:12]([C:17](=[NH:20])[OH:28])=[C:9]([OH:23])[CH2:4][C@:18]1([OH:29])[C@H:14]3[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

metacyc.compound:CPD-17874
metacycM:CPD-17874
GWHRBAIGKOKTRD-JVPBZIDWSA-M 		5-hydroxy-desmethylanthrotainin