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CHEBI:220222 - Neomediomycin B

ChEBI IDCHEBI:220222
ChEBI NameNeomediomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC69H109NO15
Net Charge0
Average Mass1192.623
Monoisotopic Mass1191.77972
SMILESCC(C=CC(=O)O)=CC=CC=CC=CCCC=C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)C=CC=CC=CC=CC=CC[C@H](O)[C@@H](C)C(=O)C[C@H](O)C[C@H](O)C=CC[C@@H](O)C[C@@H](O)CCC[C@@H](O)C[C@H](O)C=CC[C@H](O)C[C@H](O)C[C@H](C)C=CC[C@H](O)CCCN
InChIInChI=1S/C69H109NO15/c1-51(42-43-68(83)84)29-20-16-12-8-6-9-13-17-21-31-53(3)69(85)55(5)66(81)41-23-19-15-11-7-10-14-18-22-40-65(80)54(4)67(82)50-64(79)49-62(77)38-27-36-60(75)47-58(73)34-25-33-57(72)46-59(74)35-26-37-61(76)48-63(78)45-52(2)30-24-32-56(71)39-28-44-70/h6-12,14-16,18-24,26-27,29-31,35,38,41-43,52-66,69,71-81,85H,13,17,25,28,32-34,36-37,39-40,44-50,70H2,1-5H3,(H,83,84)/t52-,53+,54-,55+,56+,57-,58+,59-,60-,61+,62-,63-,64-,65+,66-,69+/m1/s1
InChIKeyLGADTVLEZHICAH-OOPORQSLSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (28133950)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Neomediomycin B (CHEBI:220222) is a hydroxy fatty acid (CHEBI:24654)