input word = C00031126

Metabolite InformationStructural formula
Name RA IV
Formula C41H50N6O10
Mw 786.35884186
CAS RN 86849-13-0
C_ID C00031126 ,
InChIKey SBXOCFQJHBHXMM-FPMDUMQXNA-N
InChICode InChI=1S/C41H50N6O10/c1-22-36(49)43-23(2)39(52)45(4)30(19-25-9-14-28(55-7)15-10-25)37(50)44-24(3)40(53)46(5)31-20-26-11-16-29(17-12-26)57-33-21-27(13-18-32(33)56-8)35(48)34(38(51)42-22)47(6)41(31)54/h9-18,21-24,30-31,34-35,48H,19-20H2,1-8H3,(H,42,51)(H,43,49)(H,44,50)/t22-,23+,24+,30+,31-,34-,35+/m1/s1
SMILES COc1ccc(C[C@H]2C(=O)N[C@@H](C)C(=O)N(C)[C@H]3Cc4ccc(cc4)Oc4cc(ccc4OC)C(O)[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)N(C)C3=O)cc1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia akane Ref.
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OrganismRubia akane
ReferenceItokawa,J.Nat.Med.,62,(2008),263