input word = C00031127

Metabolite InformationStructural formula
Name RA IX
Formula C43H50N6O10
Mw 810.35884186
CAS RN 140679-93-2
C_ID C00031127 ,
InChIKey LNQKRCFXJIYNFP-UHFFFAOYNA-N
InChICode InChI=1S/C43H50N6O10/c1-24-40(53)48(5)34-21-27-10-15-30(16-11-27)59-36-23-28(12-18-35(36)58-7)22-33(47(4)43(34)56)39(52)45-25(2)41(54)49-31(17-19-37(49)50)42(55)46(3)32(38(51)44-24)20-26-8-13-29(57-6)14-9-26/h8-16,18,23-25,31-34H,17,19-22H2,1-7H3,(H,44,51)(H,45,52)/t24-,25+,31+,32+,33+,34+/m0/s1
SMILES c1cc2ccc1C[C@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H]3N(C(=O)[C@H](NC(=O)[C@@H](Cc4cc(O2)c(cc4)OC)N(C1=O)C)C)C(=O)CC3)C)Cc1ccc(cc1)OC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia akane Ref.
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