input word = C00031136

Metabolite InformationStructural formula
Name RA XII
Formula C46H58N6O14
Mw 918.40110061
CAS RN 143343-98-0
C_ID C00031136 ,
InChIKey UYXWCWJRGWWTGU-ILJZYNGNNA-N
InChICode InChI=1S/C46H58N6O14/c1-23-40(57)48-24(2)43(60)50(4)31(18-26-8-13-29(63-7)14-9-26)42(59)49-25(3)44(61)52(6)33-19-27-10-15-30(16-11-27)64-35-21-28(20-32(41(58)47-23)51(5)45(33)62)12-17-34(35)65-46-39(56)38(55)37(54)36(22-53)66-46/h8-17,21,23-25,31-33,36-39,46,53-56H,18-20,22H2,1-7H3,(H,47,58)(H,48,57)(H,49,59)/t23-,24+,25+,31+,32+,33+,36-,37-,38+,39-,46-/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)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.
PlantaeRubiaceaeRubia yunnanensis Ref.
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