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 C1[C@H]([C@@]2([C@@H]3[C@@]([C@H]1OC(=O)C)([C@@H]1[C@@]([C@@H]([C@@H]3OC2)O)(C2=CC[C@H]([C@@]2(CC1)C)c1cocc1)C)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia volkensii Ref.
PlantaeMeliaceaeTurraea holstii Ref.
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