input word = C00040754

Metabolite InformationStructural formula
Name 1,3-Diacetylvilasinin
Formula C30H40O7
Mw 512.27740363
CAS RN 78012-28-9
C_ID C00040754 ,
InChIKey WGBLBVXSYGYVPN-NTHKPDHONA-N
InChICode InChI=1S/C30H40O7/c1-16(31)36-22-13-23(37-17(2)32)30(6)21-9-11-27(3)19(18-10-12-34-14-18)7-8-20(27)29(21,5)26(33)24-25(30)28(22,4)15-35-24/h8,10,12,14,19,21-26,33H,7,9,11,13,15H2,1-6H3/t19-,21-,22+,23-,24+,25+,26+,27-,28+,29-,30+/m0/s1
SMILES CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@@H]3C2[C@@]1(C)[C@H]1CC[C@]2(C)C(=CC[C@H]2c2ccoc2)[C@]1(C)[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia volkensii Ref.
PlantaeMeliaceaeTurraea holstii Ref.
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OrganismTurraea holstii
ReferenceMulholland,Phytochem.,49,(1998),2585