input word = C00037794

Metabolite InformationStructural formula
Name Scaphopetalumate
(+)-Scaphopetalumate
Formula C40H56O6
Mw 632.40768952
CAS RN 533925-60-9
C_ID C00037794 ,
InChIKey COZSPNKIIUVCFK-YVNSMXILNA-N
InChICode InChI=1S/C40H56O6/c1-35(2)19-21-40(34(43)44)22-20-38(6)26(27(40)24-35)11-13-31-37(5)17-16-32(36(3,4)30(37)15-18-39(31,38)7)46-33(42)14-10-25-9-12-28(41)29(23-25)45-8/h9-12,14,23,27,30-32,41H,13,15-22,24H2,1-8H3,(H,43,44)/b14-10+/t27-,30-,31+,32-,37-,38+,39+,40-/m0/s1
SMILES COc1cc(/C=C/C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeScaphopetalum thonneri Ref.
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