input word = C00038361

Metabolite InformationStructural formula
Name Acutissimatriterpene C
(-)-Acutissimatriterpene C
Formula C40H50O8
Mw 658.35056857
CAS RN 1005390-43-1
C_ID C00038361 ,
InChIKey FMFUJZHVPRHFHL-TXBNHQOCNA-N
InChICode InChI=1S/C40H50O8/c1-34(43-5)18-40(47-20-34)17-25(33(42)48-40)26-9-13-39-19-38(26,39)12-10-30-35(2)11-8-24-15-28(23-6-7-27-29(14-23)46-22-45-27)44-21-36(24,3)31(35)16-32(41)37(30,39)4/h6-8,14,17,26,28,30-32,41H,9-13,15-16,18-22H2,1-5H3/t26-,28-,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)C1=C[C@]3(OC1=O)C[C@](CO3)(OC)C)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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