input word = C00032829

Metabolite InformationStructural formula
Name Cilistol p1
Formula C35H56O12
Mw 668.37717725
CAS RN 387869-17-2
C_ID C00032829 ,
InChIKey WFEKSECTGHHFOF-BZLBIVSWNA-N
InChICode InChI=1S/C35H56O12/c1-16(21-14-31(3,44-6)33(5,42)29(46-21)47-28-27(41)26(40)25(39)22(15-36)45-28)35(43)10-8-19-18-12-24(38)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33-,34+,35+/m1/s1
SMILES C1[C@@H]2C[C@@]32[C@](C1=O)([C@@H]1[C@@H](C[C@H]3O)[C@H]2[C@](CC1)([C@](CC2)([C@@H]([C@@H]1O[C@H]([C@]([C@](C1)(C)OC)(O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum cilistum Ref.
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