input word = C00020982

Metabolite InformationStructural formula
Name Dihydroornativolide
Formula C30H36O7
Mw 508.2461035
CAS RN 125289-70-5
C_ID C00020982 ,
InChIKey KDUACHYNPUQAPN-WAXDMHHPNA-N
InChICode InChI=1S/C30H36O7/c1-15-11-19-21(16(2)23(31)34-19)22-30(36-22)25(3)9-10-29(15,30)28(13-25)18-6-5-17-7-8-26(4)33-14-27(17,37-26)12-20(18)35-24(28)32/h5,9-10,15-16,18-22H,6-8,11-14H2,1-4H3/t15-,16+,18-,19+,20+,21+,22+,25-,26+,27+,28+,29-,30-/m0/s1
SMILES [C@@]12(CCC3=CC[C@H]4[C@@H](C[C@@]3(O1)CO2)OC(=O)[C@]14C[C@@]2(C=C[C@]31[C@@]12[C@@H]([C@H]2[C@@H](C[C@@H]3C)OC(=O)[C@@H]2C)O1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGeigeria ornativa Ref.
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