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CHEBI:202226 - (1S,3aR)-jadomycin V

ChEBI IDCHEBI:202226
ChEBI Name(1S,3aR)-jadomycin V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H29NO9
Net Charge0
Average Mass535.549
Monoisotopic Mass535.18423
SMILESCc1cc(O)c2c(c1)[C@H]1OC(=O)[C@H](C(C)C)N1C1=C2C(=O)c2cccc(O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)c2C1=O
InChIInChI=1S/C29H29NO9/c1-11(2)23-29(36)39-28-15-8-12(3)9-16(31)20(15)22-24(30(23)28)27(35)21-14(26(22)34)6-5-7-18(21)38-19-10-17(32)25(33)13(4)37-19/h5-9,11,13,17,19,23,25,28,31-33H,10H2,1-4H3/t13-,17+,19-,23-,25-,28+/m0/s1
InChIKeyMZFKTMPNGPEFHW-PQJVNOTRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces venezuelae ATCC 10712 (ncbitaxon:953739) - PubMed (15070349)
ChEBI Ontology
Outgoing Relation(s)
(1S,3aR)-jadomycin V (CHEBI:202226) is a phenanthridines (CHEBI:51245)
IUPAC Name 
(3S,6R)-19-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-9-methyl-3-propan-2-yl-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
78436840ChemSpider