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CHEBI:199703 - Dixiamycin B

ChEBI IDCHEBI:199703
ChEBI NameDixiamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H48N2O6
Net Charge0
Average Mass724.898
Monoisotopic Mass724.35124
SMILESC[C@@]1(C(=O)O)[C@@H](O)CC[C@]2(C)c3cc4c5ccccc5n(-n5c6ccccc6c6cc7c(cc65)CC[C@H]5[C@](C)(C(=O)O)[C@@H](O)CC[C@]75C)c4cc3CC[C@@H]12
InChIInChI=1S/C46H48N2O6/c1-43-19-17-39(49)45(3,41(51)52)37(43)15-13-25-21-35-29(23-31(25)43)27-9-5-7-11-33(27)47(35)48-34-12-8-6-10-28(34)30-24-32-26(22-36(30)48)14-16-38-44(32,2)20-18-40(50)46(38,4)42(53)54/h5-12,21-24,37-40,49-50H,13-20H2,1-4H3,(H,51,52)(H,53,54)/t37-,38-,39+,40+,43-,44-,45+,46+/m1/s1
InChIKeyCPQSJHUUXUXWOT-IPPPMHIGSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies HKI0576 (ncbitaxon:995841) - PubMed (22968942)
ChEBI Ontology
Outgoing Relation(s)
Dixiamycin B (CHEBI:199703) is a hydroxy steroid (CHEBI:35350)
IUPAC Name 
(16R,17S,18S,21S)-10-[(16R,17S,18S,21S)-17-carboxy-18-hydroxy-17,21-dimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12-hexaen-10-yl]-18-hydroxy-17,21-dimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12-hexaene-17-carboxylic acid
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28533899ChemSpider