input word = C00051101

Metabolite InformationStructural formula
Name Kadsulactone acid
Formula C30H44O4
Mw 468.32395989
CAS RN 136040-43-2
C_ID C00051101
InChIKey OSHPUKFTABCNQL-HHOBYIPWNA-N
InChICode InChI=1S/C30H44O4/c1-18(2)21-8-10-24-28(6)13-11-22(20(4)23-9-7-19(3)26(33)34-23)27(28,5)15-16-30(24)17-29(21,30)14-12-25(31)32/h7,20-24H,1,8-17H2,2-6H3,(H,31,32)/t20-,21-,22+,23+,24-,27+,28-,29+,30-/m0/s1
SMILES C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC=C(C)C(=O)O5)CC[C@@]24C)C[C@]13CCOC=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeKadsura peltigera Ref.
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