input word = C00017816

Metabolite InformationStructural formula
Name Benzanthrin B
Formula C35H42N2O9
Mw 634.28903096
CAS RN 103618-16-2
C_ID C00017816 ,
InChIKey LEUWPSNVHJODDS-UHFFFAOYNA-N
InChICode InChI=1S/C35H42N2O9/c1-15-11-18-12-23(39)29-30(33(42)19-9-8-10-22(38)28(19)34(29)43)27(18)35(46-25-14-21(37(6)7)32(41)17(3)45-25)26(15)24-13-20(36(4)5)31(40)16(2)44-24/h8-12,16-17,20-21,24-25,31-32,38-41H,13-14H2,1-7H3/t16-,17-,20-,21+,24+,25-,31+,32+/m1/s1
SMILES c1cc(c2c(c1)C(=O)c1c(C2=O)c(cc2c1c(c(c(c2)C)[C@H]1O[C@@H]([C@@H]([C@@H](C1)N(C)C)O)C)O[C@@H]1C[C@@H]([C@H]([C@H](O1)C)O)N(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia lurida B7 Ref.
zoom in