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CHEBI:207814 - 19-hydroxyl-24-methyl ester-N-N-dixiamycin

ChEBI IDCHEBI:207814
ChEBI Name19-hydroxyl-24-methyl ester-N-N-dixiamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H51NO6
Net Charge0
Average Mass737.937
Monoisotopic Mass737.37164
SMILESCOC(=O)[C@]1(C)[C@@H](O)CC[C@]2(C)c3cc4c5ccccc5n(C5c6ccccc6-c6cc7c(cc65)CC[C@H]5[C@](C)(C(=O)O)[C@@H](O)CC[C@]75C)c4cc3CC[C@@H]12
InChIInChI=1S/C48H51NO6/c1-45-20-18-40(50)47(3,43(52)53)38(45)16-14-26-22-33-31(24-34(26)45)28-10-6-7-12-30(28)42(33)49-36-13-9-8-11-29(36)32-25-35-27(23-37(32)49)15-17-39-46(35,2)21-19-41(51)48(39,4)44(54)55-5/h6-13,22-25,38-42,50-51H,14-21H2,1-5H3,(H,52,53)/t38-,39-,40+,41+,42?,45-,46-,47+,48+/m1/s1
InChIKeyKBIRTTRZKSEAES-GUDCNPMPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30232534)
ChEBI Ontology
Outgoing Relation(s)
19-hydroxyl-24-methyl ester-N-N-dixiamycin (CHEBI:207814) is a hydroxy steroid (CHEBI:35350)
IUPAC Name 
(16R,17S,18S,21S)-18-hydroxy-10-[(16R,17S,18S,21S)-18-hydroxy-17-methoxycarbonyl-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]-17,21-dimethylpentacyclo[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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