input word = C00057485

Metabolite InformationStructural formula
Name Sandrapin A
Formula C33H40O14
Mw 660.24180599
CAS RN 652156-89-3
C_ID C00057485
InChIKey JGEVFLGJEMYVDW-XVDOTLECSA-N
InChICode InChI=1S/C33H40O14/c1-14-21-23(38)31(7)19(12-20(37)41-9)30(5,6)26(44-16(3)35)22(43-15(2)34)27(31)47-33(14)28(45-17(4)36)29(40)46-25(18-10-11-42-13-18)32(33,8)24(21)39/h10-11,13,19,21-22,24-28,39H,1,12H2,2-9H3/t19-,21-,22-,24-,25-,26-,27-,28+,31-,32-,33+/m0/s1
SMILES O=C1O[C@@H](C2=COC=C2)[C@]3(C)[C@@H](O)[C@@]([H])(C4=C)C([C@@]5(C)[C@@]([C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@@H]5CC(OC)=O)([H])O[C@]34[C@@H]1OC(C)=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSandoricum koetjape Ref.
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