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 C1=C2[C@@]([C@H]3[C@](C1)([C@@H]1[C@@]([C@@H](C3)O)([C@@]34[C@@](CC1)([C@@H](CC3)[C@@H]1[C@H]([C@]3(OC1=O)OC[C@@](C3)(OC)C)O)C4)C)C)(CO[C@@H](C2)c1cc2c(cc1)OCO2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus acutissima Ref.
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