input word = C00031135

Metabolite InformationStructural formula
Name RA XI
Formula C42H50N6O11
Mw 814.35375648
CAS RN 143277-27-4
C_ID C00031135 ,
InChIKey JYSZOVOBXGDGIQ-UHFFFAOYNA-N
InChICode InChI=1S/C42H50N6O11/c1-23-37(52)45-30(16-18-36(50)51)41(56)46(3)31(19-25-7-12-28(58-6)13-8-25)39(54)44-24(2)40(55)48(5)33-20-26-9-14-29(15-10-26)59-35-22-27(11-17-34(35)49)21-32(38(53)43-23)47(4)42(33)57/h7-15,17,22-24,30-33,49H,16,18-21H2,1-6H3,(H,43,53)(H,44,54)(H,45,52)(H,50,51)/t23-,24+,30-,31-,32+,33+/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[C@H](C(=O)N[C@H](C1=O)C)N(C2=O)C)c3)O)C)C)Cc1ccc(cc1)OC)C)CCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia akane Ref.
PlantaeRubiaceaeRubia cordifolia Ref.
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