input word = C00039529

Metabolite InformationStructural formula
Name Kadcoccilactone I
(+)-Kadcoccilactone I
Formula C31H44O10
Mw 576.29344763
CAS RN 1035130-05-2
C_ID C00039529 ,
InChIKey QWSVMFDDOBRKPA-KRRPZVCBNA-N
InChICode InChI=1S/C31H44O10/c1-14-9-19(38-26(14)35)24-15(2)17-10-21(37-16(3)32)28(6)25-18(33)11-20-27(4,5)39-22-12-23(34)40-30(20,22)13-29(25,36)7-8-31(17,28)41-24/h14-15,17-22,24-25,33,36H,7-13H2,1-6H3/t14-,15-,17+,18+,19-,20-,21-,22+,24-,25-,28+,29-,30+,31-/m0/s1
SMILES C1[C@@]23[C@@H](C[C@H]([C@@H]4[C@@]1(CC[C@@]15[C@@]4([C@H](C[C@@H]1[C@@H]([C@H](O5)[C@H]1OC(=O)[C@H](C1)C)C)OC(=O)C)C)O)O)C(O[C@@H]2CC(=O)O3)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeKadsura coccinea Ref.
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