input word = C00031140

Metabolite InformationStructural formula
Name RA-XVI
Formula C48H60N6O16
Mw 976.40657992
CAS RN 150373-89-0
C_ID C00031140 ,
InChIKey QIFVSSNYXKBIEF-UHFFFAOYNA-N
InChICode InChI=1S/C48H60N6O16/c1-23-42(60)50-24(2)45(63)52(5)32(19-27-9-14-30(66-8)15-10-27)43(61)51-25(3)46(64)53(6)33-20-28-11-16-31(17-12-28)68-35-21-29(41(67-26(4)56)37(44(62)49-23)54(7)47(33)65)13-18-34(35)69-48-40(59)39(58)38(57)36(22-55)70-48/h9-18,21,23-25,32-33,36-41,48,55,57-59H,19-20,22H2,1-8H3,(H,49,62)(H,50,60)(H,51,61)/t23-,24-,25+,32-,33-,36-,37+,38-,39+,40-,41-,48-/m0/s1
SMILES COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4OC4OC(CO)C(O)C(O)C4O)C(OC(C)=O)C(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



OrganismRubia cordifolia
ReferenceK. Takeya et al., Chem. Abs., 119, (1993), 216748.