input word = C00034271

Metabolite InformationStructural formula
Name Sphenadilactone C
(+)-Sphenadilactone C
Formula C31H39NO12
Mw 617.24722572
CAS RN 1103810-64-5
C_ID C00034271 ,
InChIKey PYUNFEXAYKBOOH-AFCBWTHVNA-N
InChICode InChI=1S/C31H39NO12/c1-12(33)32-13-9-14-25(2,3)41-15-10-16(34)42-30(14,15)11-29-8-7-26(4)20-18(27(5,38)23(26)36)19-22(28(6,39)24(37)40-19)43-31(20,44-29)21(35)17(13)29/h13-15,18-20,22,35,38-39H,7-11H2,1-6H3,(H,32,33)/t13-,14-,15+,18+,19+,20-,22-,26-,27+,28+,29?,30+,31?/m0/s1
SMILES C12=C([C@@]34[C@@H]5[C@](CC[C@]1(O4)C[C@@]14[C@H](C(O[C@@H]1CC(=O)O4)(C)C)C[C@@H]2NC(=O)C)(C(=O)[C@@]([C@@H]5[C@@H]1[C@H](O3)[C@@](C(=O)O1)(C)O)(O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeSchisandra sphenanthera Ref.
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