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CHEBI:202869 - Jadomycin S

ChEBI IDCHEBI:202869
ChEBI NameJadomycin S
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H25NO10
Net Charge0
Average Mass523.494
Monoisotopic Mass523.14785
SMILESCc1cc(O)c2c(c1)[C@@H]1OC(=O)[C@H](CO)N1C1=C2C(=O)c2cccc(O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)c2C1=O
InChIInChI=1S/C27H25NO10/c1-10-6-13-19(15(30)7-10)21-22(28-14(9-29)27(35)38-26(13)28)25(34)20-12(24(21)33)4-3-5-17(20)37-18-8-16(31)23(32)11(2)36-18/h3-7,11,14,16,18,23,26,29-32H,8-9H2,1-2H3/t11-,14-,16+,18-,23-,26-/m0/s1
InChIKeyYJZPHITXTBWGEN-KMYSFCLLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces venezuelae ATCC 10712 (ncbitaxon:953739) - PubMed (15070349)
ChEBI Ontology
Outgoing Relation(s)
Jadomycin S (CHEBI:202869) is a phenanthridines (CHEBI:51245)
IUPAC Name 
(3S,6S)-19-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-3-(hydroxymethyl)-9-methyl-5-oxa-2-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione
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9435996ChemSpider