input word = C00031740

Metabolite InformationStructural formula
Name Dibothrioclinin I
(+)-Dibothrioclinin I
Formula C30H28O6
Mw 484.18858863
CAS RN 651358-74-6
C_ID C00031740 ,
InChIKey KWMLMQWHPIAPEG-SHLKNRSDNA-N
InChICode InChI=1S/C30H28O6/c1-14-8-6-10-18-20(14)25-22(27(31)33-18)16-12-30(5)13-17(24(16)29(3,4)35-25)23-26(36-30)21-15(2)9-7-11-19(21)34-28(23)32/h6-11,16-17,24H,12-13H2,1-5H3/t16-,17-,24-,30-/m1/s1
SMILES Cc1cccc2oc(=O)c3c(c12)OC(C)(C)[C@H]1[C@@H]3C[C@@]2(C)C[C@@H]1c1c(c3c(C)cccc3oc1=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGerbera piloselloides L.CASS Ref.
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