input word = C00031123

Metabolite InformationStructural formula
Name RA I
Formula C40H48N6O10
Mw 772.3431918
CAS RN 106283-67-4
C_ID C00031123 ,
InChIKey JZVJCTVXALSTOA-UHFFFAOYNA-N
InChICode InChI=1S/C40H48N6O10/c1-22-35(49)43-29(21-47)39(53)44(3)30(17-24-7-12-27(55-6)13-8-24)37(51)42-23(2)38(52)46(5)32-18-25-9-14-28(15-10-25)56-34-20-26(11-16-33(34)48)19-31(36(50)41-22)45(4)40(32)54/h7-16,20,22-23,29-32,47-48H,17-19,21H2,1-6H3,(H,41,50)(H,42,51)(H,43,49)/t22-,23+,29-,30-,31-,32+/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)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia akane Ref.
PlantaeRubiaceaeRubia cordifolia Ref.
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