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CHEBI:207408 - (1S,3aR)-jadomycin F

ChEBI IDCHEBI:207408
ChEBI Name(1S,3aR)-jadomycin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H29NO9
Net Charge0
Average Mass583.593
Monoisotopic Mass583.18423
SMILESCc1cc(O)c2c(c1)[C@H]1OC(=O)[C@H](Cc3ccccc3)N1C1=C2C(=O)c2cccc(O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)c2C1=O
InChIInChI=1S/C33H29NO9/c1-15-11-19-25(21(35)12-15)27-28(34-20(33(40)43-32(19)34)13-17-7-4-3-5-8-17)31(39)26-18(30(27)38)9-6-10-23(26)42-24-14-22(36)29(37)16(2)41-24/h3-12,16,20,22,24,29,32,35-37H,13-14H2,1-2H3/t16-,20-,22+,24-,29-,32+/m0/s1
InChIKeyOCASEYRRLPLBRV-HNVNUWMMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces venezuelae ATCC 10712 (ncbitaxon:953739) - PubMed (15070349)
ChEBI Ontology
Outgoing Relation(s)
(1S,3aR)-jadomycin F (CHEBI:207408) is a phenanthridines (CHEBI:51245)
IUPAC Name 
(3S,6R)-3-benzyl-19-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-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
Manual XrefsDatabases
78437334ChemSpider