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12a-deshydroxy-desmethylanthrotainin

MNXM147686 is deprecated and here replaced by MNXM1368210
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368210 Image of MNXM1368210
referencemetacycM:CPD-17876
formulaC19H14NO8
global charge-1
mol weight384.32
InChIKeyAXSNNFSQKXGTIH-JANGERMGSA-M
InChIInChI=1S/C19H15NO8/c20-18(27)13-10(23)5-19(28)4-7-1-6-2-8(21)3-9(22)11(6)15(24)12(7)16(25)14(19)17(13)26/h1-3,14,21-24,28H,4-5H2,(H2,20,27)/p-1/t14?,19-/m1/s1
SMILESNC(=O)C1=C([O-])C[C@]2(O)CC3=CC4=CC(O)=CC(O)=C4C(O)=C3C(=O)C2C1=O
MNX internals
InChI (mnx)InChI=1/C19H15NO8/c20-18(27)13-10(23)5-19(28)4-7-1-6-2-8(21)3-9(22)11(6)15(24)12(7)16(25)14(19)17(13)26/h1-3,14,21-24,28H,4-5H2,(H2,20,27)/t14?,19-/m1/s1 Image of MNXM1368210
SMILES (mnx)[CH:1]1=[C:6]2[CH:2]=[C:8]([OH:21])[CH:3]=[C:9]([OH:22])[C:11]2=[C:15]([OH:24])[C:12]2=[C:7]1[CH2:4][C@@:19]1([OH:28])[CH2:5][C:10]([OH:23])=[C:13]([C:18](=[NH:20])[OH:27])[C:17](=[O:26])[CH:14]1[C:16]2=[O: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-17876
metacycM:CPD-17876
AXSNNFSQKXGTIH-JANGERMGSA-M 		12a-deshydroxy-desmethylanthrotainin
3,4a,8,10,11-pentahydroxy-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
3,4a,8,10,11-pentahydroxy-1,12-dioxo-5,12a-dihydro-4H-tetracene-2-carboxamide