input word = C00031134

Metabolite InformationStructural formula
Name RA X
Formula C43H52N6O11
Mw 828.36940655
CAS RN 140679-94-3
C_ID C00031134 ,
InChIKey HPQVYPRTUSUIMA-UHFFFAOYNA-N
InChICode InChI=1S/C43H52N6O11/c1-24-38(52)46-31(17-19-37(50)51)42(56)47(3)32(20-26-8-13-29(58-6)14-9-26)40(54)45-25(2)41(55)49(5)34-21-27-10-15-30(16-11-27)60-36-23-28(12-18-35(36)59-7)22-33(39(53)44-24)48(4)43(34)57/h8-16,18,23-25,31-34H,17,19-22H2,1-7H3,(H,44,53)(H,45,54)(H,46,52)(H,50,51)/t24-,25-,31-,32+,33-,34+/m1/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)OC)C)C)Cc1ccc(cc1)OC)C)CCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia akane Ref.
PlantaeRubiaceaeRubia cordifolia Ref.
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