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 N1[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N([C@H]2Cc3ccc(cc3)Oc3c(ccc([C@@H]([C@H](C(=O)N[C@H](C1=O)C)N(C2=O)C)OC(=O)C)c3)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)C)C)Cc1ccc(cc1)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia akane Ref.
PlantaeRubiaceaeRubia cordifolia Ref.
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