input word = C00031125

Metabolite InformationStructural formula
Name RA III
Formula C41H50N6O10
Mw 786.35884186
CAS RN 70840-66-3
C_ID C00031125 ,
InChIKey WASXNYRXXQONPG-VLSURKASNA-N
InChICode InChI=1S/C41H50N6O10/c1-23-36(49)44-30(22-48)40(53)45(3)31(18-25-8-13-28(55-6)14-9-25)38(51)43-24(2)39(52)47(5)33-19-26-10-15-29(16-11-26)57-35-21-27(12-17-34(35)56-7)20-32(37(50)42-23)46(4)41(33)54/h8-17,21,23-24,30-33,48H,18-20,22H2,1-7H3,(H,42,50)(H,43,51)(H,44,49)/t23-,24+,30+,31+,32+,33+/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)OC)C)C)Cc1ccc(cc1)OC)C)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia akane Ref.
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