CHEBI:197890 - (E)-pseudoxylallemycin F

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ChEBI Name (E)-pseudoxylallemycin F
ChEBI ID CHEBI:197890
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C40H54N4O7
Net Charge 0
Average Mass 702.893
Monoisotopic Mass 702.39925
InChI InChI=1S/C40H54N4O7/c1-9-11-19-50-30-16-13-28(14-17-30)23-32-39(48)43(7)35(22-27(5)6)38(47)42-33(40(49)44(8)34(21-26(3)4)37(46)41-32)24-29-15-18-31(25-36(29)45)51-20-12-10-2/h10-18,25-27,32-35,45H,1,19-24H2,2-8H3,(H,41,46)(H,42,47)/b12-10+/t32-,33-,34-,35-/m0/s1
InChIKey VQZBTHQWJRKXES-GKNUNXIXSA-N
SMILES O=C1N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H]1CC2=C(O)C=C(OC/C=C/C)C=C2)=O)CC(C)C)C)CC3=CC=C(OCC=C=C)C=C3)CC(C)C)C
ChEBI Ontology
Outgoing (E)-pseudoxylallemycin F (CHEBI:197890) has functional parent α-amino acid (CHEBI:33704)
(E)-pseudoxylallemycin F (CHEBI:197890) is a organonitrogen compound (CHEBI:35352)
(E)-pseudoxylallemycin F (CHEBI:197890) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
78436294 ChemSpider
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