CHEBI:2269 - 7-Hydroxylpradimicin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-Hydroxylpradimicin A
ChEBI ID CHEBI:2269
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C40H44N2O19
Net Charge 0
Average Mass 856.781
Monoisotopic Mass 856.25383
InChI InChI=1S/C40H44N2O19/c1-10-6-15-20(28(47)18(10)37(54)42-11(2)38(55)56)21-22(31(50)24-23(30(21)49)26(45)14-7-13(57-5)8-16(43)19(14)29(24)48)32(51)35(15)60-40-34(53)36(25(41-4)12(3)59-40)61-39-33(52)27(46)17(44)9-58-39/h6-8,11-12,17,25,27,32-36,39-41,43-44,46-47,49-53H,9H2,1-5H3,(H,42,54)(H,55,56)/t11?,12-,17-,25+,27+,32+,33-,34-,35+,36+,39+,40+/m1/s1
InChIKey VBTCKXSLQWDWIM-RJZZKAENSA-N
SMILES CN[C@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](O)c3c(O)c4C(=O)c5c(O)cc(OC)cc5C(=O)c4c(O)c3-c3c(O)c(C(=O)NC(C)C(O)=O)c(C)cc23)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing 7-Hydroxylpradimicin A (CHEBI:2269) is a p-quinones (CHEBI:25830)
7-Hydroxylpradimicin A (CHEBI:2269) is a tetracenes (CHEBI:51270)
Synonym Source
7-Hydroxylpradimicin A KEGG COMPOUND
Manual Xref Database
C06782 KEGG COMPOUND
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Last Modified
03 June 2016