input word = C00045730

Metabolite InformationStructural formula
Name Casearvestrin A
(-)-Casearvestrin A
Formula C28H40O8
Mw 504.27231825
CAS RN 402937-50-2
C_ID C00045730 ,
InChIKey PASSAFHUDJPXAL-SXEZFWFINA-N
InChICode InChI=1S/C28H40O8/c1-9-16(4)10-11-27(8)17(5)12-23(31)28-21(13-20(14-22(27)28)35-24(32)15(2)3)25(33-18(6)29)36-26(28)34-19(7)30/h9-10,13,15,17,20,22-23,25-26,31H,1,11-12,14H2,2-8H3/b16-10+/t17-,20-,22+,23+,25+,26-,27-,28+/m1/s1
SMILES C=C/C(C)=C/C[C@]1(C)[C@H](C)C[C@H](O)C23C(=C[C@@H](OC(=O)C(C)C)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia sylvestris Ref.
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OrganismCasearia sylvestris
ReferenceOberlies,J.Nat.Prod.,65,(2002),95