input word = C00023742

Metabolite InformationStructural formula
Name Stemphone
Formula C30H42O8
Mw 530.28796832
CAS RN 54854-92-1
C_ID C00023742 ,
InChIKey CGFWCZMBHASRBJ-VIGDQAMKNA-N
InChICode InChI=1S/C30H42O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h9,14,16,20-21,24-25,27,34-35H,10-13H2,1-8H3/b15-9-/t16-,20+,21+,24+,25-,27+,29-,30+/m0/s1
SMILES C1=C(C(=O)C2=C(C1=O)[C@H]([C@H]1[C@](O2)(CC[C@@H]2[C@@]1(CC[C@@H](O2)C(C)(C)O)C)C)O)[C@@H]([C@H](/C(=C\C)/C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPleosporaceaeStemphylium sarcinaeforme Ref.
PlantaeFabaceaeTrifolium pratense Ref.
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OrganismStemphylium sarcinaeforme
ReferenceHuber,The structure of Stemphone,a Yellow Fungal Metabolite

Acta Cryst.,B31,(1975),108-113

Huber,Tetrahedron Letters,(1974),2545-2548

Scott,Can.J.Microbiol.,14,(1969),1015-1016