input word = C00030123

Metabolite InformationStructural formula
Name Diarctigenin
(-)-Diarctigenin
Formula C42H46O12
Mw 742.29892694
CAS RN 160433-41-0
C_ID C00030123 ,
InChIKey XYMRYKOVQDOJFH-IWYGMAQANA-N
InChICode InChI=1S/C42H46O12/c1-47-33-9-7-23(17-35(33)49-3)11-27-21-53-41(45)29(27)13-25-15-31(39(43)37(19-25)51-5)32-16-26(20-38(52-6)40(32)44)14-30-28(22-54-42(30)46)12-24-8-10-34(48-2)36(18-24)50-4/h7-10,15-20,27-30,43-44H,11-14,21-22H2,1-6H3/t27-,28-,29+,30+/m0/s1
SMILES c1(c2cc(cc(c2O)OC)C[C@H]2C(=O)OC[C@@H]2Cc2ccc(c(c2)OC)OC)cc(cc(c1O)OC)C[C@H]1C(=O)OC[C@@H]1Cc1ccc(c(c1)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArctium lappa Ref.
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