input word = C00006606

Metabolite InformationStructural formula
Name alpha-Diohobanin
Formula C36H36O6
Mw 564.25118888
CAS RN 128502-82-9
C_ID C00006606 ,
InChIKey YPKDFJJQXDSHHV-KKLUKGEUNA-N
InChICode InChI=1S/C36H36O6/c1-19-17-35(3,4)33(41)27(29(19)37)31(39)25-23(21-13-9-7-10-14-21)26(24(25)22-15-11-8-12-16-22)32(40)28-30(38)20(2)18-36(5,6)34(28)42/h7-18,23-26,41-42H,1-6H3/t23-,24-,25-,26+
SMILES CC1=CC(C)(C)C(O)=C(C(=O)[C@H]2[C@H](c3ccccc3)[C@H](C(=O)C3=C(O)C(C)(C)C=C(C)C3=O)[C@H]2c2ccccc2)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThelypteridaceaeOreopteris quelpaertensis Ref.
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