input word = C00031133

Metabolite InformationStructural formula
Name RA VIII
Formula C42H52N6O10
Mw 800.37449193
CAS RN 138994-83-9
C_ID C00031133 ,
InChIKey NEDDNXXIOBMBCV-UHFFFAOYNA-N
InChICode InChI=1S/C42H52N6O10/c1-23-37(50)45-36(25(3)49)42(55)47(5)31(19-26-9-14-29(56-7)15-10-26)39(52)44-24(2)40(53)48(6)33-20-27-11-16-30(17-12-27)58-35-22-28(13-18-34(35)57-8)21-32(38(51)43-23)46(4)41(33)54/h9-18,22-25,31-33,36,49H,19-21H2,1-8H3,(H,43,51)(H,44,52)(H,45,50)/t23-,24+,25-,31+,32-,33+,36+/m1/s1
SMILES COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4OC)CC(C(=O)NC(C)C(=O)NC(C(C)O)C(=O)N2C)N(C)C3=O)cc1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia akane Ref.
PlantaeRubiaceaeRubia cordifolia Ref.
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