input word = C00039525

Metabolite InformationStructural formula
Name Kadcoccilactone E
(+)-Kadcoccilactone E
Formula C29H40O7
Mw 500.27740363
CAS RN 1035129-97-5
C_ID C00039525 ,
InChIKey NBZDXWQJHKPYOE-MALPUABHNA-N
InChICode InChI=1S/C29H40O7/c1-15-12-20(34-25(15)32)24(31)16(2)17-6-7-18-19-8-9-21-26(3,4)35-22-13-23(30)36-29(21,22)14-28(19,33)11-10-27(17,18)5/h7,12,16-17,19-22,24,31,33H,6,8-11,13-14H2,1-5H3/t16-,17-,19-,20-,21-,22+,24-,27+,28-,29+/m0/s1
SMILES [C@@]123[C@@H](CC[C@@H]4[C@@](C1)(CC[C@]1(C4=CC[C@H]1[C@@H]([C@H](O)[C@H]1OC(=O)C(=C1)C)C)C)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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