input word = C00031139

Metabolite InformationStructural formula
Name RA-XV
Formula C48H60N6O15
Mw 960.41166529
CAS RN 150373-88-9
C_ID C00031139 ,
InChIKey SZTUUTSOEYYVOX-UHFFFAOYNA-N
InChICode InChI=1S/C48H60N6O15/c1-24-42(59)50-25(2)45(62)52(5)33(19-28-9-14-31(65-8)15-10-28)44(61)51-26(3)46(63)54(7)35-20-29-11-16-32(17-12-29)67-37-22-30(21-34(43(60)49-24)53(6)47(35)64)13-18-36(37)68-48-41(58)40(57)39(56)38(69-48)23-66-27(4)55/h9-18,22,24-26,33-35,38-41,48,56-58H,19-21,23H2,1-8H3,(H,49,60)(H,50,59)(H,51,61)/t24-,25-,26-,33-,34+,35-,38+,39+,40-,41+,48-/m1/s1
SMILES COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4OC4OC(COC(C)=O)C(O)C(O)C4O)CC(C(=O)NC(C)C(=O)NC(C)C(=O)N2C)N(C)C3=O)cc1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia akane Ref.
PlantaeRubiaceaeRubia cordifolia Ref.
zoom in