input word = C00038363

Metabolite InformationStructural formula
Name Acutissimatriterpene E
(+)-Acutissimatriterpene E
Formula C40H52O9
Mw 676.36113326
CAS RN 1005390-45-3
C_ID C00038363 ,
InChIKey MQFUFTKXYPLXSO-LBJIDKHYNA-N
InChICode InChI=1S/C40H52O9/c1-34(44-5)17-40(48-19-34)32(42)31(33(43)49-40)24-9-13-39-18-38(24,39)12-10-28-35(2)11-8-23-15-26(22-6-7-25-27(14-22)47-21-46-25)45-20-36(23,3)29(35)16-30(41)37(28,39)4/h6-8,14,24,26,28-32,41-42H,9-13,15-21H2,1-5H3/t24-,26-,28+,29+,30+,31+,32+,34+,35+,36-,37-,38+,39+,40-/m0/s1
SMILES CO[C@@]1(C)CO[C@@]2(C1)OC(=O)[C@H]([C@@H]1CC[C@]34C[C@]13CC[C@@H]1[C@@]3(C)CC=C5C[C@@H](c6ccc7c(c6)OCO7)OC[C@]5(C)[C@@H]3C[C@@H](O)[C@]14C)[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus acutissima Ref.
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