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tirandamycin E

MNXM165185 is deprecated and here replaced by MNXM1368606
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368606 Image of MNXM1368606
referencemetacycM:CPD-18215
formulaC22H29NO7
global charge0
mol weight419.474
InChIKeyPPAGWZPNZAEPAJ-HUKGLPIOSA-N
InChIInChI=1S/C22H29NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,16-19,24,26H,9H2,1-5H3,(H,23,27)/b7-6+,10-8+,15-13-/t11-,12-,16-,17-,18?,19?,21+,22?/m1/s1
SMILESCC(/C=C/C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@H]1OC2(C)OC([C@@H](O)C3O[C@@]32C)[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C22H29NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,16-19,24,26H,9H2,1-5H3,(H,23,27)/b7-6+,10-8+,15-13-/t11-,12-,16-,17-,18?,19?,21+,22?/m1/s1 Image of MNXM1368606
SMILES (mnx)[CH3:1][C:10](/[CH:6]=[CH:7]/[C:13](=[C:15]1\[C:14](=[O:25])[CH2:9][N:23]=[C:20]1[OH:27])[OH:24])=[CH:8]\[C@@H:11]([CH3:2])[C@@H:17]1[C@@H:12]([CH3:3])[CH:18]2[C@@H:16]([OH:26])[CH:19]3[C@@:21]([CH3:4])([C:22]([CH3:5])([O:28]1)[O:29]2)[O:30]3
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-18215
metacycM:CPD-18215
PPAGWZPNZAEPAJ-HUKGLPIOSA-N 		tirandamycin E