input word = C00017917

Metabolite InformationStructural formula
Name Actinoplanone E
R 304E
Formula C31H29ClN2O10
Mw 624.15107287
CAS RN 116229-70-0
C_ID C00017917 ,
InChIKey RXQNODYVXOZZIK-UHFFFAOYNA-N
InChICode InChI=1S/C31H29ClN2O10/c1-10(2)33-34-11(3)23(32)13-6-12-7-16-19-21(17(12)24(36)18(13)31(34)39)26(38)22-25(37)20-15(40-4)8-14(35)27(41-5)29(20)44-30(22)28(19)43-9-42-16/h6,14-16,27,35-36,38H,7-9H2,1-5H3/t14-,15-,16-,27+/m0/s1
SMILES COC1CC(O)C(OC)c2oc3c4c5c(c(O)c3c(=O)c21)-c1c(cc2c(Cl)c(C)n(N=C(C)C)c(=O)c2c1O)CC5OCO4
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaActinoplanaceaeActinoplanes sp. R-304 Ref.
zoom in