input word = C00036129

Metabolite InformationStructural formula
Name Isoveprisonic acid
Formula C27H34O10
Mw 518.21519731
CAS RN 623903-31-1
C_ID C00036129 ,
InChIKey MPOSPKCQQCHOJZ-JFPFBZCNNA-N
InChICode InChI=1S/C27H34O10/c1-23(2)14-10-15(28)26(5)13(25(14,4)16(36-23)11-17(29)33-6)7-8-24(3)19(12-9-18(30)34-21(12)31)35-22(32)20-27(24,26)37-20/h9,13-14,16,18-20,30H,7-8,10-11H2,1-6H3/t13-,14+,16-,18-,19+,20-,24+,25-,26+,27-/m1/s1
SMILES COC(=O)C[C@H]1OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@H](C5=CC(O)OC5=O)OC(=O)[C@H]5O[C@]543)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeBouchardatia neurococca Ref.
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