7-Hydroxylpradimicin A (CHEBI:2269)

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CHEBI:2269 - 7-Hydroxylpradimicin A

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ChEBI ID	CHEBI:2269
ChEBI Name	7-Hydroxylpradimicin A
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Last Modified	3 June 2016
Downloads	Molfile

Formula	C40H44N2O19
Net Charge	0
Average Mass	856.787
Monoisotopic Mass	856.25383
SMILES	CN[C@@H]1[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O[C@H]2c3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3-c3c(O)c4c(c(O)c3[C@@H]2O)C(=O)c2c(O)cc(OC)cc2C4=O)O[C@@H]1C
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

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
C06782	KEGG COMPOUND