input word = C00031741

Metabolite InformationStructural formula
Name Dibothrioclinin II
Formula C30H28O6
Mw 484.18858863
CAS RN 651358-75-7
C_ID C00031741 ,
InChIKey KWMLMQWHPIAPEG-CFORMTAINA-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+/m0/s1
SMILES [C@@H]12[C@@H](C[C@]3(Oc4c([C@H]1C3)c(=O)oc1c4c(ccc1)C)C)c1c(OC2(C)C)c2c(oc1=O)cccc2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGerbera piloselloides L.CASS Ref.
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OrganismGerbera piloselloides L.CASS
ReferenceXiao,Chem.Pharm.Bull.,52,(2004),1362