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 N1[C@@H](C(=O)N([C@@H](C(=O)N[C@@H](C(=O)N([C@@H]2Cc3ccc(cc3)Oc3c(ccc(C[C@@H](C(=O)N[C@@H](C1=O)C)N(C2=O)C)c3)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)COC(=O)C)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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OrganismRubia akane
ReferenceItokawa,J.Nat.Med.,62,(2008),263