input word = C00031138

Metabolite InformationStructural formula
Name RA XIV
Formula C48H58N6O15
Mw 958.39601523
CAS RN 143277-29-6
C_ID C00031138 ,
InChIKey VBFILFUZIRPOGD-UHFFFAOYNA-N
InChICode InChI=1S/C48H58N6O15/c1-24-44(62)53(5)34-20-27-9-14-30(15-10-27)67-36-22-28(11-17-35(36)68-48-41(59)40(58)39(57)37(23-55)69-48)21-33(52(4)47(34)65)43(61)50-25(2)45(63)54-31(16-18-38(54)56)46(64)51(3)32(42(60)49-24)19-26-7-12-29(66-6)13-8-26/h7-15,17,22,24-25,31-34,37,39-41,48,55,57-59H,16,18-21,23H2,1-6H3,(H,49,60)(H,50,61)/t24-,25+,31-,32-,33-,34+,37-,39-,40+,41-,48-/m1/s1
SMILES COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4OC4OC(CO)C(O)C(O)C4O)CC(C(=O)NC(C)C(=O)N4C(=O)CCC4C(=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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OrganismRubia cordifolia
ReferenceH. Morita et al., Chem. Abs., 117, (1992), 147186.