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CHEBI:218916 - (1S,3aR)-jadomycin Ala

ChEBI IDCHEBI:218916
ChEBI Name(1S,3aR)-jadomycin Ala
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H25NO9
Net Charge0
Average Mass507.495
Monoisotopic Mass507.15293
SMILESCc1cc(O)c2c(c1)[C@H]1OC(=O)[C@H](C)N1C1=C2C(=O)c2cccc(O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)c2C1=O
InChIInChI=1S/C27H25NO9/c1-10-7-14-19(15(29)8-10)21-22(28-11(2)27(34)37-26(14)28)25(33)20-13(24(21)32)5-4-6-17(20)36-18-9-16(30)23(31)12(3)35-18/h4-8,11-12,16,18,23,26,29-31H,9H2,1-3H3/t11-,12-,16+,18-,23-,26+/m0/s1
InChIKeyRZOHWPFQSWBZBM-VKQDQWMPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces venezuelae ATCC 10712 (ncbitaxon:953739) - PubMed (15070349)
ChEBI Ontology
Outgoing Relation(s)
(1S,3aR)-jadomycin Ala (CHEBI:218916) is a phenanthridines (CHEBI:51245)
IUPAC Name 
(3S,6R)-19-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-3,9-dimethyl-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
Manual XrefsDatabases
78437612ChemSpider