Jadomycin B

Properties Image Occurences in reactions MNX_ID MNXM738469 #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0 formula C30H31NO9 charge 0 mass 549.19988 reference keggC:C12395 InChIKey BSBSCJRAEMDCHC-FTERDKBNSA-N InChI InChI=1S/C30H31NO9/c1-5-13(3)24-30(37)40-29-16-9-12(2)10-17(32)21(16)23-25(31(24)29)28(36)22-15(27(23)35)7-6-8-19(22)39-20-11-18(33)26(34)14(4)38-20/h6-10,13-14,18,20,24,26,29,32-34H,5,11H2,1-4H3/t13-,14-,18+,20-,24-,26-,29-/m0/s1 SMILES CC[C@H](C)[C@H]1C(=O)O[C@H]2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O[C@H]5C[C@@H](O)[C@@H](O)[C@H](C)O5)cccc4C3=O)N21

Parent-child relations graph

Deprecated MNXref IDs graph