CHEBI:4472 - Dexylosylbenanomicin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Dexylosylbenanomicin A
ChEBI ID CHEBI:4472
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C34H33NO15
Net Charge 0
Average Mass 695.625
Monoisotopic Mass 695.18502
InChI InChI=1S/C34H33NO15/c1-9-5-16-21(27(41)18(9)32(45)35-10(2)33(46)47)20-14(26(40)31(16)50-34-30(44)29(43)23(37)11(3)49-34)8-15-22(28(20)42)25(39)13-6-12(48-4)7-17(36)19(13)24(15)38/h5-8,10-11,23,26,29-31,34,36-37,40-44H,1-4H3,(H,35,45)(H,46,47)/t10?,11-,23+,26+,29+,30-,31+,34+/m1/s1
InChIKey PRUXMUKWYBVNMB-OVAHQGMASA-N
SMILES COc1cc(O)c2C(=O)c3cc4[C@H](O)[C@@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)c5cc(C)c(C(=O)NC(C)C(O)=O)c(O)c5-c4c(O)c3C(=O)c2c1
ChEBI Ontology
Outgoing Dexylosylbenanomicin A (CHEBI:4472) is a p-quinones (CHEBI:25830)
Dexylosylbenanomicin A (CHEBI:4472) is a tetracenes (CHEBI:51270)
Synonym Source
Dexylosylbenanomicin A KEGG COMPOUND
Manual Xref Database
C06787 KEGG COMPOUND
View more database links
Last Modified
05 June 2016