input word = C00039380

Metabolite InformationStructural formula
Name Holstinone C
Formula C31H48O6
Mw 516.34508926
CAS RN 247046-16-8
C_ID C00039380 ,
InChIKey XCCPYESNSWQOFT-KKOREFQTNA-N
InChICode InChI=1S/C31H48O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,12,14,17-19,21-22,24-26,33-35H,9,11,13,15-16H2,1-8H3/t17-,18-,19+,21+,22-,24+,25+,26+,29-,30+,31-/m0/s1
SMILES CO[C@@H]1O[C@@H]([C@@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeTurraea holstii Ref.
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